Basic information
- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(COc4ccccc4)C3)cc21- InChIKey
DZQCPTIRAMBEJQ-UHFFFAOYSA-N- Molecular formula
- C23H24FN3O4
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.17508442
Names & identifiers
- Preferred name
- 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-[3-(phenoxymethyl)-1-piperazinyl]-3-quinolinecarboxylic acid
- IUPAC
- 1-ethyl-6-fluoro-4-oxo-7-[3-(phenoxymethyl)piperazin-1-yl]quinoline-3-carboxylic acid
Names & synonyms
SCHEMBL9592207DZQCPTIRAMBEJQ-UHFFFAOYSA-N1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-[3-(phenoxy-methyl]-1-piperazinyl]-3-quinolinecarboxylic acid1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-[3-(phenoxymethyl)-1-piperazinyl]-3-quinolinecarboxylic acid
Database identifiers
- PubChem CID
- 14839355
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 696
Related reactions
6 records
Compound notes
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