3-((2-oxo-6-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)methyl)benzoic acid
Basic information
- Standard SMILES
O=C(O)c1cccc(CN2C(=O)CCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)c1- InChIKey
YVFZUSUJGUMROO-UHFFFAOYSA-N- Molecular formula
- C24H18F3NO3
- Average molar mass
- 425.4 g/mol
Names & identifiers
- Preferred name
- 3-((2-oxo-6-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)methyl)benzoic acid
- IUPAC
- 3-[[2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-1-yl]methyl]benzoic acid
Names & synonyms
3-((2-oxo-6-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)methyl)benzoic acidSCHEMBL3304528
Database identifiers
- PubChem CID
- 59316612
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 659
Related reactions
2 records
Compound notes
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