Basic information
- Standard SMILES
Nc1c(F)c(N2CCC(N)C2)c(F)c2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F- InChIKey
FFGXDWNMCLHVSE-UHFFFAOYSA-N- Molecular formula
- C20H16F4N4O3
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 436.11585303
Names & identifiers
- Preferred name
- 5-Amino-1-(2',4'-difluorophenyl)-6,8-difluoro-1,4-dihydro-7-(3-aminopyrrolidine-1-yl)-4-oxo-quinoline-3-carboxylic acid
- IUPAC
- 5-amino-7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL5868717FFGXDWNMCLHVSE-UHFFFAOYSA-N5-Amino-1-(2',4'-difluorophenyl)-6,8-difluoro-1,4-dihydro-7-(3-aminopyrrolidine -1-yl)-4-oxo-quinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 10203370
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 771
Related reactions
2 records
Compound notes
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