N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide

C18H15ClN2O2 — CID 141109827

IUPACN-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(C)c2[nH]cc(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1
InChIInChI=1S/C18H15ClN2O2/c1-10-6-11(2)16-14(7-10)17(22)15(9-20-16)18(23)21-13-5-3-4-12(19)8-13/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyDQAZZHBSALCMFH-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.05
Rot. Bonds2

About N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide

N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 141109827) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID141109827
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(C)c2[nH]cc(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1
InChIInChI=1S/C18H15ClN2O2/c1-10-6-11(2)16-14(7-10)17(22)15(9-20-16)18(23)21-13-5-3-4-12(19)8-13/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyDQAZZHBSALCMFH-UHFFFAOYSA-N
XLogP4.05
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-4-oxo-8-(sulfanylmethyl)-1H-quinoline-3-carboxamide
CID 141109811
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 110695775
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647935
1-(3-chlorophenyl)-3-[[4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]thiourea
CID 56931558
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
N-(3-chlorophenyl)-4-oxothiochromene-3-carboxamide
CID 164617987
N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831968
N-(3-acetamido-4-methoxyphenyl)-6-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 51126405
N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691306

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide (CID 141109827) is N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide is Cc1cc(C)c2[nH]cc(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1.
What is the InChIKey of N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is DQAZZHBSALCMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-10-6-11(2)16-14(7-10)17(22)15(9-20-16)18(23)21-13-5-3-4-12(19)8-13/h3-9H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide?
N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 141109827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).