Basic information
- Standard SMILES
CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(C(=O)O)cc1.Cl- InChIKey
BNTBCKDGXSTALO-UHFFFAOYSA-N- Molecular formula
- C20H16ClF3N2O4
- Average molar mass
- 440.8 g/mol
Names & identifiers
- Preferred name
- 4-[[3-Ethoxycarbonyl-7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid hydrochloride
- IUPAC
- 4-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid;hydrochloride
Names & synonyms
4-[[3-ethoxycarbonyl-7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid hydrochlorideSCHEMBL10668213
Database identifiers
- PubChem CID
- 13825035
Properties
Computed structural properties
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 593
Related reactions
2 records
Compound notes
Loading…