Completing data — usually done within a minute
Basic information
- CAS
112811-83-3- Standard SMILES
CCOc1c(N2CCNCC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12- InChIKey
YKKIBHKSHPPCEQ-UHFFFAOYSA-N- Molecular formula
- C19H22FN3O4
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.1594344
Names & identifiers
- Preferred name
- 1-Cyclopropyl-8-ethoxy-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
- IUPAC
- 1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Names & synonyms
112811-83-31-Cyclopropyl-8-ethoxy-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acidSCHEMBL9371609DTXSID80333126YKKIBHKSHPPCEQ-UHFFFAOYSA-N1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid1-cyclopropyl-6-fluoro-1,4-dihydro-8-ethoxy-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid1-cyclopropyl-6-fluoro-1,4-dihydro-8-ethoxy-4-oxo-7-(1-piperazinyl)3-quinolinecarboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-8-ethoxy-7-(1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-
Database identifiers
- CAS
112811-83-3- PubChem CID
- 484575
- DTXSID
DTXSID80333126- Nikkaji
- J772.226E
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 632
Related reactions
3 records
Compound notes
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