Basic information
- Standard SMILES
Cl.O=C(O)c1cn2c3c(c(N4CCN(C(F)(F)F)CC4)ccc3c1=O)CCC2- InChIKey
KUPQBFUNJKCRBT-UHFFFAOYSA-N- Molecular formula
- C18H19ClF3N3O3
- Average molar mass
- 417.8 g/mol
Names & identifiers
- Preferred name
- 8-(4-trifluoromethyl-1-piperazinyl)-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid hydrochloride
- IUPAC
- 4-oxo-8-[4-(trifluoromethyl)piperazin-1-yl]-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid;hydrochloride
Names & synonyms
8-(4-trifluoromethyl-1-piperazinyl)-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid hydrochlorideSCHEMBL11168079
Database identifiers
- PubChem CID
- 70529582
Properties
Computed structural properties
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 658
Related reactions
1 records
Compound notes
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