8-Chloro-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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Basic information
- CAS
103481-72-7- Standard SMILES
CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CC(C)N1- InChIKey
PKKKDVJDIFMHHZ-UHFFFAOYSA-N- Molecular formula
- C19H21ClFN3O3
- Average molar mass
- 393.8 g/mol
- Monoisotopic mass
- 393.1255474
Names & identifiers
- Preferred name
- 8-Chloro-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 8-chloro-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-7-(3,5-diMethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-
- Molecular formula
- C19H21ClFN3O3
- Molecular weight
- 393.84
Names & synonyms
103481-72-78-chloro-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid8-chloro-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-7-(3,5-diMethyl-1-piperazinyl)-6-fluoro-1,4-dihydSCHEMBL965845CHEMBL414419DTXSID309084448-chloro-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid8-Chloro-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid8-Chloro-1-cyclopropyl-7-(3,5-dimethyl-piperazin-1-yl)-6-fluoro-1,4-dihydro-4-oxo-quinolin-3-carboxylic acid
Database identifiers
- CAS
103481-72-7- PubChem CID
- 483598
- DTXSID
DTXSID30908444- ChEMBL
CHEMBL414419
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- 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
- 661
Related reactions
0 records
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Compound notes
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