3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-
Basic information
- CAS
182868-50-4- Standard SMILES
CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)CC1- InChIKey
PUFKGBBADJSTFI-UHFFFAOYSA-N- Molecular formula
- C20H21F4N3O3
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 427.15190419
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-
- IUPAC
- 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoroMethyl)-
- Molecular formula
- C20H21F4N3O3
- Molecular weight
- 427.39
Names & synonyms
182868-50-41-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-8-(trDTXSID201713471-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid1-Cyclopropyl-7-(4-ethyl-piperazin-1-yl)-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-quinolin-3-carboxylic acid
Database identifiers
- CAS
182868-50-4- PubChem CID
- 483608
- DTXSID
DTXSID20171347- Nikkaji
- J772.222B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 731
Physicochemical properties
- Boiling point
- 560.2 · 560.2±50.0 °C(Predicted)
- Density
- 1.459 · 1.459±0.06 g/cm3(Predicted)
- pka
- 6.39 · 6.39±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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