2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide

C27H23N3O3 — CID 46375355

IUPAC2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C27H23N3O3/c1-16-7-12-25-23(13-16)24(27(33)29-22-6-4-5-20(14-22)17(2)31)15-26(30-25)19-8-10-21(11-9-19)28-18(3)32/h4-15H,1-3H3,(H,28,32)(H,29,33)
InChIKeyVHAVMYLHUSFENX-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.62
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide

2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide (PubChem CID 46375355) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
PubChem CID46375355
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C27H23N3O3/c1-16-7-12-25-23(13-16)24(27(33)29-22-6-4-5-20(14-22)17(2)31)15-26(30-25)19-8-10-21(11-9-19)28-18(3)32/h4-15H,1-3H3,(H,28,32)(H,29,33)
InChIKeyVHAVMYLHUSFENX-UHFFFAOYSA-N
XLogP5.62
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]amino]benzoate
CID 46375330
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide
CID 1122087
N-(3,4-dimethylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749800
2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
CID 46375371
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172
N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298896
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide (CID 46375355) is 2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide is CC(=O)Nc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)c3cc(C)ccc3n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide?
The InChIKey is VHAVMYLHUSFENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-16-7-12-25-23(13-16)24(27(33)29-22-6-4-5-20(14-22)17(2)31)15-26(30-25)19-8-10-21(11-9-19)28-18(3)32/h4-15H,1-3H3,(H,28,32)(H,29,33).
What are the key properties of 2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide?
2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 46375355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).