6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide

C24H19ClN2O2 — CID 8966053

IUPAC6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C24H19ClN2O2/c1-15-22(24(28)27-18-9-11-19(29-2)12-10-18)23(16-6-4-3-5-7-16)20-14-17(25)8-13-21(20)26-15/h3-14H,1-2H3,(H,27,28)
InChIKeyHWQQFDUQQRKXMS-UHFFFAOYSA-N
MW402.88 g/mol
LogP6.12
Rot. Bonds4

About 6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide

6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide (PubChem CID 8966053) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is 6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
PubChem CID8966053
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC Name6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C24H19ClN2O2/c1-15-22(24(28)27-18-9-11-19(29-2)12-10-18)23(16-6-4-3-5-7-16)20-14-17(25)8-13-21(20)26-15/h3-14H,1-2H3,(H,27,28)
InChIKeyHWQQFDUQQRKXMS-UHFFFAOYSA-N
XLogP6.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide
CID 24614620
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 3385049
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride
CID 42914787
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444
N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
4-(4-methoxyphenyl)-2-methyl-5-nitro-N,6-diphenylpyridine-3-carboxamide
CID 171904998
ethyl 6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenylquinoline-3-carboxylate
CID 102393462
methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate
CID 139242418
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide (CID 8966053) is 6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide is COc1ccc(NC(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1.
What is the InChIKey of 6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide?
The InChIKey is HWQQFDUQQRKXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-15-22(24(28)27-18-9-11-19(29-2)12-10-18)23(16-6-4-3-5-7-16)20-14-17(25)8-13-21(20)26-15/h3-14H,1-2H3,(H,27,28).
What are the key properties of 6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide?
6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide is sourced from PubChem (CID 8966053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).