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SDF/Mol File of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide (C20H18N2O4)

Identification of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide Chemical Compound

2D chemical structure image of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide
Chemical Formula C20H18N2O4
Molecular Weight 350.36792 g/mol
IUPAC Name N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide
SMILES String Cc4cc3cc(CC(=O)NCc2ccc1OCOc1c2)ccc3[nH]c4=O
InChI InChI=1S/C20H18N2O4/c1-12-6-15-7-13(2-4-16(15)22-20(12)24)9-19(23)21-10-14-3-5-17-18(8-14)26-11-25-17/h2-8H,9-11H2,1H3,(H,21,23)(H,22,24)
InChIKey ZBIXMAKJJKHTCZ-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide
Ball-and-stick model of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide

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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-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide Molecule

  • Other names (synonyms) or registry numbers of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide

    The N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide including the registry numbers are listed below, if available:



    None available.


N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide Identification Summary Frequently Asked Questions (FAQs)

What’s the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide formula?
C20H18N2O4
How many atoms and what elements are included in the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide molecule?
44 atom(s) - 18 Hydrogen atom(s), 20 Carbon atom(s), 2 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide structure?
47 bond(s) - 29 non-H bond(s), 15 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 1 ten-membered ring(s), 2 secondary amide(s) (aliphatic), and 2 ether(s) (aromatic)
What’s the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide’s molar mass?
350.36792 g/mol
What’s the SMILES structure of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide?
Cc4cc3cc(CC(=O)NCc2ccc1OCOc1c2)ccc3[nH]c4=O
What’s the InChI code of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide?
InChI=1S/C20H18N2O4/c1-12-6-15-7-13(2-4-16(15)22-20(12)24)9-19(23)21-10-14-3-5-17-18(8-14)26-11-25-17/h2-8H,9-11H2,1H3,(H,21,23)(H,22,24)
What’s the InChIKey format of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetamide?
ZBIXMAKJJKHTCZ-UHFFFAOYSA-N

27 The contents of this page can freely be shared if cited as follows:
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).

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