3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-1-phenyl-7-(1-piperazinyl)-
Basic information
- CAS
98106-13-9- Standard SMILES
O=C(O)c1cn(-c2ccccc2)c2cc(N3CCNCC3)c(F)cc2c1=O- InChIKey
LNDZQOCPDSKPRL-UHFFFAOYSA-N- Molecular formula
- C20H18FN3O3
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.13321961
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-1-phenyl-7-(1-piperazinyl)-
- IUPAC
- 6-fluoro-4-oxo-1-phenyl-7-piperazin-1-ylquinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-1-phenyl-7-(1-p iperazinyl)-
- Molecular formula
- C20H18FN3O3
- Molecular weight
- 367.37
Names & synonyms
98106-13-93-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-1-phenyl-7-(1-piperazinyl)-DTXSID30243448RefChem:282568DTXCID301659396-Fluoro-4-oxo-1-phenyl-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acidChemDiv1_0285526-Fluoro-4-oxo-1-phenyl-7-(1-piperazinyl)-1,4-dihydro-3-quinolinecarboxylic acidOprea1_734985CHEMBL38394SCHEMBL9443495HMS668B18
Show more names
1-phenyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-quinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-1-phenyl-7-(1-p iperazinyl)-
6-fluoro-4-oxo-1-phenyl-7-piperazin-1-yl-quinoline-3-carboxylic acid6-Fluoro-4-oxo-1-phenyl-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylicacid
Database identifiers
- CAS
98106-13-9- PubChem CID
- 463746
- DTXSID
DTXSID30243448- ChEMBL
CHEMBL38394- Nikkaji
- J684.244E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 614
Physicochemical properties
- Boiling point
- 608.4 · 608.4±55.0 °C(Predicted)
- Density
- 1.391 · 1.391±0.06 g/cm3(Predicted)
- pka
- 6.19 · 6.19±0.41(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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