3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide

C17H13ClN2O2 — CID 110604388

IUPAC3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
SMILESCc1cc2ccc(NC(=O)c3cccc(Cl)c3)cc2[nH]c1=O
InChIInChI=1S/C17H13ClN2O2/c1-10-7-11-5-6-14(9-15(11)20-16(10)21)19-17(22)12-3-2-4-13(18)8-12/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyCMKUYVHIBQAROA-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.74
Rot. Bonds2

About 3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide

3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide (PubChem CID 110604388) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
PubChem CID110604388
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
SMILESCc1cc2ccc(NC(=O)c3cccc(Cl)c3)cc2[nH]c1=O
InChIInChI=1S/C17H13ClN2O2/c1-10-7-11-5-6-14(9-15(11)20-16(10)21)19-17(22)12-3-2-4-13(18)8-12/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyCMKUYVHIBQAROA-UHFFFAOYSA-N
XLogP3.74
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110427940
3-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110604374
4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide
CID 110613710
3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110427991
2,3-dimethyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)quinoxaline-6-carboxamide
CID 110618929
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110427931
3-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 1340030
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110668240
3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide
CID 74220672

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide?
The IUPAC name of 3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide (CID 110604388) is 3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide?
The canonical SMILES for 3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide is Cc1cc2ccc(NC(=O)c3cccc(Cl)c3)cc2[nH]c1=O.
What is the InChIKey of 3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide?
The InChIKey is CMKUYVHIBQAROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-10-7-11-5-6-14(9-15(11)20-16(10)21)19-17(22)12-3-2-4-13(18)8-12/h2-9H,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide?
3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide has a molecular weight of 312.76 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide is sourced from PubChem (CID 110604388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).