Basic information
- Standard SMILES
Cl.O.O=C(O)c1ccc(Nc2ccnc3c(C(F)(F)F)cccc23)cc1- InChIKey
YLAQXYCAIIOCEX-UHFFFAOYSA-N- Molecular formula
- C17H14ClF3N2O3
- Average molar mass
- 386.8 g/mol
Names & identifiers
- Preferred name
- 4-(8-Trifluoromethyl-4-quinolylamino)benzoic acid hydrochloride monohydrate
- IUPAC
- 4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid;hydrate;hydrochloride
Names & synonyms
4-(8-trifluoromethyl-4-quinolylamino)benzoic acid hydrochloride monohydrateSCHEMBL11243465
Database identifiers
- PubChem CID
- 70545502
Properties
Computed structural properties
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 450
Related reactions
2 records
Compound notes
Loading…