7-[(3R,4R)-3,4-Diamino-1-pyrrolidinyl]-6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
Basic information
- CAS
792170-26-4- Standard SMILES
N[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C[C@H]1N- InChIKey
UEZZBELUIVFCLT-HZPDHXFCSA-N- Molecular formula
- C20H18F2N4O3
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.13469677
Names & identifiers
- Preferred name
- 7-[(3R,4R)-3,4-Diamino-1-pyrrolidinyl]-6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
- IUPAC
- 7-[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
Names & synonyms
CHEMBL1194259DTXSID7011079037-[(3R,4R)-3,4-Diamino-1-pyrrolidinyl]-6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid792170-26-4
Database identifiers
- CAS
792170-26-4- PubChem CID
- 44366190
- DTXSID
DTXSID701107903- ChEMBL
CHEMBL1194259
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 687
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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