Ethyl 5-(diethylcarbamoyl)-2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate
Basic information
- CAS
438474-26-1- Standard SMILES
CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)sc(C(=O)N(CC)CC)c1C- InChIKey
JARIEZWBOBFTJQ-UHFFFAOYSA-N- Molecular formula
- C31H33N3O4S
- Average molar mass
- 543.7 g/mol
- Monoisotopic mass
- 543.21917772
Names & identifiers
- Preferred name
- Ethyl 5-(diethylcarbamoyl)-2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate
- IUPAC
- ethyl 5-(diethylcarbamoyl)-2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate
- English name
- ethyl 5-[(diethylamino)carbonyl]-2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate
- Molecular formula
- C31H33N3O4S
- Molecular weight
- 543.67642
Names & synonyms
ethyl 5-(diethylcarbamoyl)-2-({[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylateethyl 5-(diethylcarbamoyl)-2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylateethyl 5-(diethylcarbamoyl)-2-{[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino}-4-methylthiophene-3-carboxylateOprea1_830594AK-968/15253246STK420882AKOS003285829ethyl 5-[(diethylamino)carbonyl]-2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate
Database identifiers
- CAS
438474-26-1- PubChem CID
- 4207228
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 867
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