1-(4-Fluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)cinnoline-3-carboxylic acid
Basic information
- CAS
114610-10-5- Standard SMILES
O=C(O)c1nn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O- InChIKey
KXMZXXPBWSASJD-UHFFFAOYSA-N- Molecular formula
- C19H16F2N4O3
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.11904671
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)cinnoline-3-carboxylic acid
- IUPAC
- 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylcinnoline-3-carboxylic acid
- English name
- 1-(4-fluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)cinnoline-3-carboxylic acid
- Molecular formula
- C19H16F2N4O3
- Molecular weight
- 386.35
Names & synonyms
Fpfpcc114610-10-51-(4-Fluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)cinnoline-3-carboxylic acidDTXSID80150799RefChem:74490DTXCID50732906-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylcinnoline-3-carboxylic acid6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(piperazin-1-yl)-1,4-dihydrocinnoline-3-carboxylic acid3-Cinnolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
Database identifiers
- CAS
114610-10-5- PubChem CID
- 195095
- DTXSID
DTXSID80150799
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 647
Physicochemical properties
- Melting point
- 273 · 273-276 °C (decomp)
- Boiling point
- 634 · 634.0±65.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- -0.03 · -0.03±0.20(Predicted)
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Compound notes
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