N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide

C17H13ClN2O2 — CID 29204953

IUPACN-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
SMILESCc1cc(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2[nH]1
InChIInChI=1S/C17H13ClN2O2/c1-10-8-16(21)14-9-11(2-7-15(14)19-10)17(22)20-13-5-3-12(18)4-6-13/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyHSBIRGXNXFZQOL-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.74
Rot. Bonds2

About N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide

N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide (PubChem CID 29204953) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
PubChem CID29204953
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
SMILESCc1cc(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2[nH]1
InChIInChI=1S/C17H13ClN2O2/c1-10-8-16(21)14-9-11(2-7-15(14)19-10)17(22)20-13-5-3-12(18)4-6-13/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyHSBIRGXNXFZQOL-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

N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 39849554
N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 39849550
4-methoxy-N-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 39849013
3-methoxy-N-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 39848932
N-(4-chlorophenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 12664397
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
CID 54687803
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
propan-2-yl 4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoate
CID 18288127
6-[(3-chloro-2-hydroxypropyl)amino]-2-methyl-1H-quinolin-4-one
CID 168640525
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide (CID 29204953) is N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide is Cc1cc(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2[nH]1.
What is the InChIKey of N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide?
The InChIKey is HSBIRGXNXFZQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-10-8-16(21)14-9-11(2-7-15(14)19-10)17(22)20-13-5-3-12(18)4-6-13/h2-9H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide?
N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide 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 N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 29204953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).