Basic information
- Standard SMILES
O.O=C(O)c1cn(-c2ccc(F)cc2F)c2cc(N3CC4CC3CN4)c(F)cc2c1=O- InChIKey
WKFKWQMAHIOVIL-UHFFFAOYSA-N- Molecular formula
- C21H18F3N3O4
- Average molar mass
- 433.4 g/mol
Names & identifiers
- Preferred name
- 7-(2,5-Diazabicyclo(2.2.1)hept-2-yl)-6-fluoro-1-(2,4-difluorophenyl)-1,4-di-hydro-4-oxoquinoline-3-carboxylic acid monohydrate
- IUPAC
- 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrate
Names & synonyms
SCHEMBL9784852WKFKWQMAHIOVIL-UHFFFAOYSA-N7-(2,5-diazabicyclo(2.2.1)hept-2-yl)-6-fluoro-1-(2,4-difluorophenyl)-1,4-di-hydro-4-oxoquinoline-3-carboxylic acid monohydrate
Database identifiers
- PubChem CID
- 67927890
Properties
Computed structural properties
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 765
Related reactions
1 records
Compound notes
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