Basic information
- Standard SMILES
CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1-c1ccc(C)c(C)c1- InChIKey
CUNQOXIQXVWQAW-UHFFFAOYSA-N- Molecular formula
- C21H18F3NO2
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.1289633
Names & identifiers
- Preferred name
- 4-(3,4-Dimethyl-phenyl)-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-(3,4-dimethylphenyl)-7-(trifluoromethyl)quinoline-3-carboxylate
Names & synonyms
4-(3,4-dimethyl-phenyl)-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl esterSCHEMBL3064798
Database identifiers
- PubChem CID
- 59205231
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 524
Related reactions
3 records
Compound notes
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