2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide

C25H21N3O2 — CID 50816172

IUPAC2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)cc1
InChIInChI=1S/C25H21N3O2/c1-16-7-3-5-9-22(16)28-25(30)21-15-24(27-23-10-6-4-8-20(21)23)18-11-13-19(14-12-18)26-17(2)29/h3-15H,1-2H3,(H,26,29)(H,28,30)
InChIKeyOHFDHHSZTRMJNA-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.42
Rot. Bonds4

About 2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide

2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide (PubChem CID 50816172) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
PubChem CID50816172
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)cc1
InChIInChI=1S/C25H21N3O2/c1-16-7-3-5-9-22(16)28-25(30)21-15-24(27-23-10-6-4-8-20(21)23)18-11-13-19(14-12-18)26-17(2)29/h3-15H,1-2H3,(H,26,29)(H,28,30)
InChIKeyOHFDHHSZTRMJNA-UHFFFAOYSA-N
XLogP5.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 5129728
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(2,3-dimethylphenyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 5141329
N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide
CID 2977359
2-amino-N-(2-methylphenyl)quinoline-4-carboxamide
CID 62154395

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide (CID 50816172) is 2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide is CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide?
The InChIKey is OHFDHHSZTRMJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-16-7-3-5-9-22(16)28-25(30)21-15-24(27-23-10-6-4-8-20(21)23)18-11-13-19(14-12-18)26-17(2)29/h3-15H,1-2H3,(H,26,29)(H,28,30).
What are the key properties of 2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide?
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 50816172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).