3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-1-(2-methylphenyl)-4-oxo-7-(1-piperazinyl)-
Basic information
- CAS
155188-32-2- Standard SMILES
Cc1ccccc1-n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21- InChIKey
UNDKSFYVMMPOSB-UHFFFAOYSA-N- Molecular formula
- C21H20FN3O3
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.14886967
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-1-(2-methylphenyl)-4-oxo-7-(1-piperazinyl)-
- IUPAC
- 6-fluoro-1-(2-methylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-1-(2-methylphenyl)-4- oxo-7-(1-piperazinyl)-
- Molecular formula
- C21H20FN3O3
- Molecular weight
- 381.4
Names & synonyms
155188-32-23-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-1-(2-methylphenyl)-4-oxo-7-(1-piperazinyl)-DTXSID10165851RefChem:282567DTXCID90883426-Fluoro-4-oxo-7-(piperazin-1-yl)-1-(o-tolyl)-1,4-dihydroquinoline-3-carboxylic acid6-fluoro-1-(2-methylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid6-Fluoro-1-(2-methylphenyl)-4-oxo-7-(1-piperazinyl)-1,4-dihydro-3-quinolinecarboxylic acidCHEMBL1005946-fluoro-1-(2-methylphenyl)-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-1-(2-methylphenyl)-4- oxo-7-(1-piperazinyl)-6-fluoro-1-(o-tolyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid
Show more names
6-Fluoro-4-oxo-7-(piperazin-1-yl)-1-(o-tolyl)-1,4-dihydroquinoline-3-carboxylicacid
Database identifiers
- CAS
155188-32-2- PubChem CID
- 463744
- DTXSID
DTXSID10165851- ChEMBL
CHEMBL100594- Nikkaji
- J684.245C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 649
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Compound notes
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