1-Cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Basic information
- CAS
119354-10-8- Standard SMILES
CC1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC(C)N1- InChIKey
QIPQASLPWJVQMH-UHFFFAOYSA-N- Molecular formula
- C19H20F3N3O3
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.14567599
Names & identifiers
- Preferred name
- 1-Cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid
- English name
- ORBIFLOXACIN
- Molecular formula
- C19H20F3N3O3
- Molecular weight
- 395.38
Names & synonyms
119354-10-81-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acidMFCD09031273STK7198973-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-5,6,8-trifluoro-1,4-dihydro-4-oxo-s4150Sparfloxacin Fluoro ImpuritySCHEMBL9374152DTXSID40392557HMS3468F18BBL010486
Show more names
1-CYCLOPROPYL-7-(3,5-DIMETHYL-1-PIPERAZINYL)-5,6,8-TRIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACID1-CYCLOPROPYL-7-(3,5-DIMETHYL-PIPERAZIN-1-YL)-5,6,8-TRIFLUORO-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID1-Cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid
AKOS004938887CCG-2793904DIHYDRO4OXO3QUINLINECARBOXYLICACIDVS-02525ZINC000003882891ZINC000006625891DB-041180NS00011863
Database identifiers
- CAS
119354-10-8- PubChem CID
- 3447239
- DTXSID
DTXSID40392557
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 691
Physicochemical properties
- Boiling point
- 590.7 · 590.7±50.0 °C(Predicted)
- Density
- 1.436 · 1.436±0.06 g/cm3(Predicted)
- pka
- 6.36 · 6.36±0.50(Predicted)
Related reactions
1 records
Compound notes
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