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Basic information
- CAS
183135-64-0- Standard SMILES
CC(C)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1- InChIKey
RKMQZLAWAPJYNO-UHFFFAOYSA-N- Molecular formula
- C20H23F2N3O3
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.17074804
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(4-(1-methylethyl)-1-piperazinyl)-4-oxo-
- IUPAC
- 1-cyclopropyl-6,8-difluoro-4-oxo-7-(4-propan-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
Names & synonyms
PD162281183135-64-03-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(4-(1-methylethyl)-1-piperazinyl)-4-oxo-3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-[4-(1-methylethyl)-1-piperazinyl]-4-oxo-SCHEMBL10401137DTXSID101713911-cyclopropyl-6,8-difluoro-7-(4-isopropylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid1-Cyclopropyl-6,8-difluoro-4-oxo-7-[4-(propan-2-yl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
183135-64-0- PubChem CID
- 465566
- DTXSID
DTXSID10171391
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 674
Related reactions
1 records
Compound notes
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