6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide

C26H21N3O3 — CID 10410045

IUPAC6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide
SMILESCC(=O)c1ccc2nc(-c3ccccc3)cc(C(=O)NC(=O)Nc3ccccc3C)c2c1
InChIInChI=1S/C26H21N3O3/c1-16-8-6-7-11-22(16)28-26(32)29-25(31)21-15-24(18-9-4-3-5-10-18)27-23-13-12-19(17(2)30)14-20(21)23/h3-15H,1-2H3,(H2,28,29,31,32)
InChIKeyOTKOPYPWUBQFQL-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.37
Rot. Bonds4

About 6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide

6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide (PubChem CID 10410045) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is 6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide
PubChem CID10410045
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide
SMILESCC(=O)c1ccc2nc(-c3ccccc3)cc(C(=O)NC(=O)Nc3ccccc3C)c2c1
InChIInChI=1S/C26H21N3O3/c1-16-8-6-7-11-22(16)28-26(32)29-25(31)21-15-24(18-9-4-3-5-10-18)27-23-13-12-19(17(2)30)14-20(21)23/h3-15H,1-2H3,(H2,28,29,31,32)
InChIKeyOTKOPYPWUBQFQL-UHFFFAOYSA-N
XLogP5.37
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
6-acetyl-N-[(4-methylphenyl)carbamoyl]-2-(4-nitrophenyl)quinoline-4-carboxamide
CID 11754377
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172
6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide
CID 135525412
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 5129728
2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
CID 46375355
4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate
CID 5081114
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide (CID 10410045) is 6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide is CC(=O)c1ccc2nc(-c3ccccc3)cc(C(=O)NC(=O)Nc3ccccc3C)c2c1.
What is the InChIKey of 6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is OTKOPYPWUBQFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-16-8-6-7-11-22(16)28-26(32)29-25(31)21-15-24(18-9-4-3-5-10-18)27-23-13-12-19(17(2)30)14-20(21)23/h3-15H,1-2H3,(H2,28,29,31,32).
What are the key properties of 6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide?
6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 10410045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).