N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide

C24H20N2O — CID 1351369

IUPACN-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H20N2O/c1-16-9-8-10-17(2)23(16)26-24(27)20-15-22(18-11-4-3-5-12-18)25-21-14-7-6-13-19(20)21/h3-15H,1-2H3,(H,26,27)
InChIKeyAKCQWCNDUPKMFE-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.77
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide

N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide (PubChem CID 1351369) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide
PubChem CID1351369
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC NameN-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H20N2O/c1-16-9-8-10-17(2)23(16)26-24(27)20-15-22(18-11-4-3-5-12-18)25-21-14-7-6-13-19(20)21/h3-15H,1-2H3,(H,26,27)
InChIKeyAKCQWCNDUPKMFE-UHFFFAOYSA-N
XLogP5.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide (CID 1351369) is N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide is Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is AKCQWCNDUPKMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-16-9-8-10-17(2)23(16)26-24(27)20-15-22(18-11-4-3-5-12-18)25-21-14-7-6-13-19(20)21/h3-15H,1-2H3,(H,26,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide?
N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 1351369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).