Basic information
- Standard SMILES
O.O.O=C(O)c1cn(C2CC2)c2nc3cc(N4CCNCC4)c(F)cc3cc2c1=O- InChIKey
SNXFKBKBKMBDQR-UHFFFAOYSA-N- Molecular formula
- C20H23FN4O5
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.16524801
Names & identifiers
- Preferred name
- 1-Cyclopropyl-7-fluoro-4-oxo-8-(1-piperazinyl)-1,4-dihydro-benzo[b][1,8]naphthyridine-3-carboxylic acid dihydrate
- IUPAC
- 1-cyclopropyl-7-fluoro-4-oxo-8-piperazin-1-ylbenzo[b][1,8]naphthyridine-3-carboxylic acid;dihydrate
Names & synonyms
SCHEMBL9775975SNXFKBKBKMBDQR-UHFFFAOYSA-N1-cyclopropyl-7-fluoro-4-oxo-8-(1-piperazinyl)-1,4-dihydro-benzo[b][1,8]naphthyridine-3-carboxylic acid dihydrate
Database identifiers
- PubChem CID
- 67925866
Properties
Computed structural properties
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 691
Related reactions
2 records
Compound notes
Loading…