Structure & Deep Data of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide (C22H25N3O2)
Identification of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide Chemical Compound
Chemical Formula | C22H25N3O2 |
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Molecular Weight | 363.4528 g/mol |
IUPAC Name | N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide |
SMILES String | CCN(CC)c3ccc(NC(=O)Cc2ccc1[nH]c(=O)c(C)cc1c2)cc3 |
InChI | InChI=1S/C22H25N3O2/c1-4-25(5-2)19-9-7-18(8-10-19)23-21(26)14-16-6-11-20-17(13-16)12-15(3)22(27)24-20/h6-13H,4-5,14H2,1-3H3,(H,23,26)(H,24,27) |
InChIKey | IIABSDDDTOQWSK-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide molecule contains a total of 54 bond(s). There are 29 non-H bond(s), 15 multiple bond(s), 6 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 2 secondary amide(s) (aliphatic), and 1 tertiary amine(s) (aromatic). Images of the chemical structure of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide are given below:
The 2D chemical structure image of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide is provided here.
The N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide
The SMILES string of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide is CCN(CC)c3ccc(NC(=O)Cc2ccc1[nH]c(=O)c(C)cc1c2)cc3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide.
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Structure Data File (SDF/MOL File) of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide
The structure data file (SDF/MOL File) of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide is available for download in the SDF page of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide, which provides the information about the atoms, bonds, connectivity and coordinates of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide. The N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide
The molecular formula of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide is available in chemical formula page of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide
The molecular weight of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide is available in molecular weight page of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide
The N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide including the various registry numbers, if available:
None available.
N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide? |
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C22H25N3O2 |
How many atoms and what are the elements included the N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide molecule? |
52 atom(s) - 25 Hydrogen atom(s), 22 Carbon atom(s), 3 Nitrogen atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide structure? |
54 bond(s) - 29 non-H bond(s), 15 multiple bond(s), 6 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 2 secondary amide(s) (aliphatic), and 1 tertiary amine(s) (aromatic) |
What’s the N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide’s molecular weight? |
363.4528 g/mol |
What’s the SMILES code of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide? |
CCN(CC)c3ccc(NC(=O)Cc2ccc1[nH]c(=O)c(C)cc1c2)cc3 |
What’s the InChI string of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide? |
InChI=1S/C22H25N3O2/c1-4-25(5-2)19-9-7-18(8-10-19)23-21(26)14-16-6-11-20-17(13-16)12-15(3)22(27)24-20/h6-13H,4-5,14H2,1-3H3,(H,23,26)(H,24,27) |
What’s the InChIKey code of N-[4-(diethylamino)phenyl]-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide? |
IIABSDDDTOQWSK-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).