Isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
Basic information
- CAS
515872-86-3- Standard SMILES
Cc1ccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(F)cc4)c3C(=O)OC(C)C)c3ccccc3n2)c(C)c1- InChIKey
QHGXETABUDXQEU-UHFFFAOYSA-N- Molecular formula
- C33H29FN2O3S
- Average molar mass
- 552.7 g/mol
- Monoisotopic mass
- 552.18829213
Names & identifiers
- Preferred name
- Isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
- IUPAC
- propan-2-yl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
- English name
- isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
- Molecular formula
- C33H29FN2O3S
- Molecular weight
- 552.6583632
Names & synonyms
isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylateSTK451919AKOS003301429propan-2-yl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylateST50941861AK-968/41927255515872-86-3isopropyl 2-(2-(2,4-dimethylphenyl)quinoline-4-carboxamido)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylatemethylethyl 2-{[2-(2,4-dimethylphenyl)(4-quinolyl)]carbonylamino}-4-(4-fluorop henyl)-5-methylthiophene-3-carboxylatepropan-2-yl 2-({[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
Database identifiers
- CAS
515872-86-3- PubChem CID
- 3560250
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 880
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