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

C25H21N3O2 — CID 4863526

IUPACN-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C25H21N3O2/c1-16-7-9-18(10-8-16)24-15-22(21-5-3-4-6-23(21)28-24)25(30)27-20-13-11-19(12-14-20)26-17(2)29/h3-15H,1-2H3,(H,26,29)(H,27,30)
InChIKeyVFIVOIZDHCDZMC-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.42
Rot. Bonds4

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

N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 4863526) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID4863526
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C25H21N3O2/c1-16-7-9-18(10-8-16)24-15-22(21-5-3-4-6-23(21)28-24)25(30)27-20-13-11-19(12-14-20)26-17(2)29/h3-15H,1-2H3,(H,26,29)(H,27,30)
InChIKeyVFIVOIZDHCDZMC-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

2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide
CID 2977359
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
CID 46375355
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide (CID 4863526) is N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is VFIVOIZDHCDZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-16-7-9-18(10-8-16)24-15-22(21-5-3-4-6-23(21)28-24)25(30)27-20-13-11-19(12-14-20)26-17(2)29/h3-15H,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
N-(4-acetamidophenyl)-2-(4-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 N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4863526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).