N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide

C19H17ClN2O3 — CID 110295978

IUPACN-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(C)cc(C)c3[nH]c2=O)cc1Cl
InChIInChI=1S/C19H17ClN2O3/c1-10-6-11(2)17-12(7-10)8-14(19(24)22-17)18(23)21-13-4-5-16(25-3)15(20)9-13/h4-9H,1-3H3,(H,21,23)(H,22,24)
InChIKeyBGXCGJVGWYPGSQ-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.06
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 110295978) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID110295978
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(C)cc(C)c3[nH]c2=O)cc1Cl
InChIInChI=1S/C19H17ClN2O3/c1-10-6-11(2)17-12(7-10)8-14(19(24)22-17)18(23)21-13-4-5-16(25-3)15(20)9-13/h4-9H,1-3H3,(H,21,23)(H,22,24)
InChIKeyBGXCGJVGWYPGSQ-UHFFFAOYSA-N
XLogP4.06
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2993738
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N'-(2-chloro-4,6-dimethylphenyl)-N-(3-chloro-4-methoxyphenyl)oxamide
CID 108501287
2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9101828
7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide
CID 108791613
methyl 5-[(3-chloro-4-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25393428
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide
CID 63937740
N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1314189
N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 44999396
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 103763233
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide (CID 110295978) is N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide is COc1ccc(NC(=O)c2cc3cc(C)cc(C)c3[nH]c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is BGXCGJVGWYPGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-10-6-11(2)17-12(7-10)8-14(19(24)22-17)18(23)21-13-4-5-16(25-3)15(20)9-13/h4-9H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110295978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).