8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(S)-3-(3-nitrobenzylideneamino)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid
Basic information
- Standard SMILES
O=C(O)c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](N=Cc4cccc([N+](=O)[O-])c4)C3)c(F)cc2c1=O- InChIKey
NLDQNOOEQDMIIA-AWEZNQCLSA-N- Molecular formula
- C24H20ClFN4O5
- Average molar mass
- 498.9 g/mol
Names & identifiers
- Preferred name
- 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(S)-3-(3-nitrobenzylideneamino)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid
- IUPAC
- 8-chloro-1-cyclopropyl-6-fluoro-7-[(3S)-3-[(3-nitrophenyl)methylideneamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL8908770SCHEMBL8908777NLDQNOOEQDMIIA-AWEZNQCLSA-N8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(S)-3-(3-nitrobenzylideneamino)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid
Database identifiers
- PubChem CID
- 54117203
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 937
Related reactions
2 records
Compound notes
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