Basic information
- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(CO)C3)cc21.Cl- InChIKey
NUWOTXUQONLSLU-UHFFFAOYSA-N- Molecular formula
- C17H21ClFN3O4
- Average molar mass
- 385.8 g/mol
Names & identifiers
- Preferred name
- 1-Ethyl-6-fluoro-1,4-dihydro-7-[3-(hydroxymethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid, hydrochloride
- IUPAC
- 1-ethyl-6-fluoro-7-[3-(hydroxymethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;hydrochloride
Names & synonyms
CHEMBL1202531NUWOTXUQONLSLU-UHFFFAOYSA-N1-Ethyl-6-fluoro-1,4-dihydro-7-[3-(hydroxymethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid, hydrochloride1-Ethyl-6-fluoro-1,4-dihydro-7[3-(hydroxymethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid, hydrochloride
Database identifiers
- PubChem CID
- 14839397
- ChEMBL
CHEMBL1202531
Properties
Computed structural properties
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 570
Related reactions
2 records
Compound notes
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