8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(S)-3-(3-nitrobenzylideneamino)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid

HCID 54117203
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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

Related reactions

2 records
New reaction record

Linked notes

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