2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide

C27H19ClN2O — CID 3165622

IUPAC2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide
SMILESCc1ccc2ccccc2c1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C27H19ClN2O/c1-17-10-11-18-6-2-3-7-21(18)26(17)30-27(31)23-16-25(19-12-14-20(28)15-13-19)29-24-9-5-4-8-22(23)24/h2-16H,1H3,(H,30,31)
InChIKeyQFYFQVGFXUWHDO-UHFFFAOYSA-N
MW422.92 g/mol
LogP7.27
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide

2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide (PubChem CID 3165622) has the molecular formula C27H19ClN2O and a molecular weight of 422.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide
PubChem CID3165622
Molecular FormulaC27H19ClN2O
Molecular Weight422.92 g/mol
Exact Mass422.12
IUPAC Name2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide
SMILESCc1ccc2ccccc2c1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C27H19ClN2O/c1-17-10-11-18-6-2-3-7-21(18)26(17)30-27(31)23-16-25(19-12-14-20(28)15-13-19)29-24-9-5-4-8-22(23)24/h2-16H,1H3,(H,30,31)
InChIKeyQFYFQVGFXUWHDO-UHFFFAOYSA-N
XLogP7.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.92
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide
CID 3165781
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide
CID 52548004
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide (CID 3165622) is 2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide is Cc1ccc2ccccc2c1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide?
The InChIKey is QFYFQVGFXUWHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2O/c1-17-10-11-18-6-2-3-7-21(18)26(17)30-27(31)23-16-25(19-12-14-20(28)15-13-19)29-24-9-5-4-8-22(23)24/h2-16H,1H3,(H,30,31).
What are the key properties of 2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 7.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 3165622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).