Basic information
- CAS
116020-28-1- Standard SMILES
CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CC1- InChIKey
JNRYPTFEBRZZAT-UHFFFAOYSA-N- Molecular formula
- C19H21ClFN3O3
- Average molar mass
- 393.8 g/mol
- Monoisotopic mass
- 393.1255474
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-
- IUPAC
- 8-chloro-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Names & synonyms
116020-28-13-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-SCHEMBL312188DTXSID601512698-chloro-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidNS001332438-chloro-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid
Database identifiers
- CAS
116020-28-1- PubChem CID
- 483607
- DTXSID
DTXSID60151269- Nikkaji
- J772.215J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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