Ethyl 2-[[2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

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Basic information

CAS: 445034-12-8
Standard SMILES: CCOC(=O)c1c(NC(=O)c2cc(-c3cc(OC)ccc3OC)nc3ccccc23)sc(C(=O)Nc2ccccc2)c1C
InChIKey: RBRBUQPSWJILIF-UHFFFAOYSA-N
Molecular formula: C33H29N3O6S
Average molar mass: 595.7 g/mol

Names & identifiers

Preferred name: Ethyl 2-[[2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
IUPAC: ethyl 2-[[2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
English name: ethyl 5-(anilinocarbonyl)-2-({[2-(2,5-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate
Molecular formula: C33H29N3O6S
Molecular weight: 595.66486

Names & synonyms

ethyl 2-({[2-(2,5-dimethoxyphenyl)quinolin-4-yl]carbonyl}amino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylateAK-968/41021517STK423836AKOS003285233ethyl 2-[[2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylateST50938352ethyl 2-{[2-(2,5-dimethoxyphenyl)(4-quinolyl)]carbonylamino}-4-methyl-5-(N-phe nylcarbamoyl)thiophene-3-carboxylateethyl 5-(anilinocarbonyl)-2-({[2-(2,5-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate

Database identifiers

CAS: 445034-12-8

Properties

Computed structural properties

XLogP: 6.9
Topological polar surface area: 144 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 43
Formal charge: 0
Complexity: 963

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Compound notes

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