N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide

C24H20N2O — CID 3639002

IUPACN-benzyl-8-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H20N2O/c1-17-9-8-14-20-21(24(27)25-16-18-10-4-2-5-11-18)15-22(26-23(17)20)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,25,27)
InChIKeyCGQKJXCUVFTNTA-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.14
Rot. Bonds4

About N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide

N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 3639002) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-8-methyl-2-phenylquinoline-4-carboxamide
PubChem CID3639002
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC NameN-benzyl-8-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H20N2O/c1-17-9-8-14-20-21(24(27)25-16-18-10-4-2-5-11-18)15-22(26-23(17)20)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,25,27)
InChIKeyCGQKJXCUVFTNTA-UHFFFAOYSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 5033603
N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647542
8-methyl-N',2-diphenylquinoline-4-carbohydrazide
CID 4554842
N-(furan-2-ylmethyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 17373004
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
N-(2,6-dimethylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647461
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 7139650

Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide (CID 3639002) is N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide is Cc1cccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc12.
What is the InChIKey of N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is CGQKJXCUVFTNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-17-9-8-14-20-21(24(27)25-16-18-10-4-2-5-11-18)15-22(26-23(17)20)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,25,27).
What are the key properties of N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide?
N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3639002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).