ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate

C28H21N3O4 — CID 39850128

IUPACethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2c1=O
InChIInChI=1S/C28H21N3O4/c1-2-35-28(34)22-16-29-23-13-12-18(14-21(23)26(22)32)30-27(33)20-15-25(17-8-4-3-5-9-17)31-24-11-7-6-10-19(20)24/h3-16H,2H2,1H3,(H,29,32)(H,30,33)
InChIKeyAFQSQECROINDNU-UHFFFAOYSA-N
MW463.49 g/mol
LogP5.17
Rot. Bonds5

About ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate

ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate (PubChem CID 39850128) has the molecular formula C28H21N3O4 and a molecular weight of 463.49 g/mol. Its IUPAC name is ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate
PubChem CID39850128
Molecular FormulaC28H21N3O4
Molecular Weight463.49 g/mol
Exact Mass463.15
IUPAC Nameethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2c1=O
InChIInChI=1S/C28H21N3O4/c1-2-35-28(34)22-16-29-23-13-12-18(14-21(23)26(22)32)30-27(33)20-15-25(17-8-4-3-5-9-17)31-24-11-7-6-10-19(20)24/h3-16H,2H2,1H3,(H,29,32)(H,30,33)
InChIKeyAFQSQECROINDNU-UHFFFAOYSA-N
XLogP5.17
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39849933
ethyl 4-oxo-6-[[(2S)-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylate
CID 155478923
ethyl 4-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 4580773
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-4-carboxylate;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-4-carboxylic acid
CID 157331243
ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 17374077
ethyl 4-oxo-6-(trifluoromethylamino)-1H-quinoline-3-carboxylate
CID 162518104
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide
CID 4622832
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide
CID 17271835

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate (CID 39850128) is ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2c1=O.
What is the InChIKey of ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate?
The InChIKey is AFQSQECROINDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O4/c1-2-35-28(34)22-16-29-23-13-12-18(14-21(23)26(22)32)30-27(33)20-15-25(17-8-4-3-5-9-17)31-24-11-7-6-10-19(20)24/h3-16H,2H2,1H3,(H,29,32)(H,30,33).
What are the key properties of ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate?
ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate has a molecular weight of 463.49 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate is sourced from PubChem (CID 39850128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).