SDF/Mol File of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide (C20H15ClFN3O2)
Identification of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide Chemical Compound
Chemical Formula | C20H15ClFN3O2 |
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Molecular Weight | 383.803403 g/mol |
IUPAC Name | N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide |
SMILES String | CC(=O)N3CCc4ccc(NC(=O)c2cc1ccc(F)cc1nc2Cl)cc34 |
InChI | InChI=1S/C20H15ClFN3O2/c1-11(26)25-7-6-12-3-5-15(10-18(12)25)23-20(27)16-8-13-2-4-14(22)9-17(13)24-19(16)21/h2-5,8-10H,6-7H2,1H3,(H,23,27) |
InChIKey | IDAJVTSMOYVNIJ-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide 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-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide 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.
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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-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide Molecule
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Chemical structure of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide is available in chemical structure page of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide
The molecular weight of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide is available in molecular weight page of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide
The chemical formula of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide is given in chemical formula page of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide is:
InChI=1S/C20H15ClFN3O2/c1-11(26)25-7-6-12-3-5-15(10-18(12)25)23-20(27)16-8-13-2-4-14(22)9-17(13)24-19(16)21/h2-5,8-10H,6-7H2,1H3,(H,23,27)
It can provide a standard way to encode the molecular information of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide is:
InChIKey=IDAJVTSMOYVNIJ-UHFFFAOYSA-N
The InChIKey may allow easier web searches for N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide, but it needs to be linked to the full InChI to get back to the original structure of the N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide
The N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide including the registry numbers are listed below, if available:
None available.
N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide Identification Summary Frequently Asked Questions (FAQs)
What’s the N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide formula? |
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C20H15ClFN3O2 |
How many atoms and what elements are included in the N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide molecule? |
42 atom(s) - 15 Hydrogen atom(s), 20 Carbon atom(s), 3 Nitrogen atom(s), 2 Oxygen atom(s), 1 Fluorine atom(s), and 1 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are in the N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide structure? |
45 bond(s) - 30 non-H bond(s), 19 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 17 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 1 ten-membered ring(s), 1 secondary amide(s) (aromatic), 1 tertiary amide(s) (aliphatic), and 1 Pyridine(s) |
What’s the N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide’s molar mass? |
383.803403 g/mol |
What’s the SMILES structure of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide? |
CC(=O)N3CCc4ccc(NC(=O)c2cc1ccc(F)cc1nc2Cl)cc34 |
What’s the InChI code of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide? |
InChI=1S/C20H15ClFN3O2/c1-11(26)25-7-6-12-3-5-15(10-18(12)25)23-20(27)16-8-13-2-4-14(22)9-17(13)24-19(16)21/h2-5,8-10H,6-7H2,1H3,(H,23,27) |
What’s the InChIKey format of N-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-2-chloro-7-fluoroquinoline-3-carboxamide? |
IDAJVTSMOYVNIJ-UHFFFAOYSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).