Basic information
- CAS
183135-63-9- Standard SMILES
CC(C)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CC1- InChIKey
DLNPUAYZCMIBLE-UHFFFAOYSA-N- Molecular formula
- C20H23ClFN3O3
- Average molar mass
- 407.9 g/mol
- Monoisotopic mass
- 407.1411975
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(4-(1-methylethyl)-1-piperazinyl)-4-oxo-
- IUPAC
- 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(4-propan-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
Names & synonyms
PD162280183135-63-93-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(4-(1-methylethyl)-1-piperazinyl)-4-oxo-3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-[4-(1-methylethyl)-1-piperazinyl]-4-oxo-SCHEMBL14453816DTXSID501713908-Chloro-1-cyclopropyl-6-fluoro-4-oxo-7-[4-(propan-2-yl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid8-chloro-1-cyclopropyl-6-fluoro-7-(4-isopropylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid
Database identifiers
- CAS
183135-63-9- PubChem CID
- 465563
- DTXSID
DTXSID50171390
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 676
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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