Ethyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

HCID 178816632

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Basic information

CAS: 354996-52-4
Standard SMILES: CCOC(=O)c1c(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)sc2c1CCC(C)C2
InChIKey: PDTGXWXEZJJFCC-UHFFFAOYSA-N
Molecular formula: C29H28N2O4S
Average molar mass: 500.6 g/mol

Names & identifiers

Preferred name: Ethyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
IUPAC: ethyl 2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
English name: ethyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Molecular formula: C29H28N2O4S
Molecular weight: 500.60862

Names & synonyms

ethyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateOprea1_601814STK418853AKOS003265272AKOS022166010ethyl 2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAK-968/12097145ETHYL 2-({[2-(3-METHOXYPHENYL)-4-QUINOLYL]CARBONYL}AMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATEethyl 2-({[2-(3-methoxyphenyl)quinolin-4-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Database identifiers

CAS: 354996-52-4

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 106 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 780

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