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Basic information
- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)C(CF)C3)cc21- InChIKey
RXWVPHLZZHZFPF-UHFFFAOYSA-N- Molecular formula
- C18H21F2N3O3
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.15509786
Names & identifiers
- Preferred name
- 1-Ethyl-6-fluoro-7-[3-(fluoromethyl)-4-methyl-1-piperazinyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
- IUPAC
- 1-ethyl-6-fluoro-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL9591441RXWVPHLZZHZFPF-UHFFFAOYSA-N1-Ethyl-6-fluoro-7-[3-(fluoromethyl)-4-methyl-1-piperazinyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
Database identifiers
- PubChem CID
- 14839366
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 600
Related reactions
3 records
Compound notes
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