Basic information
- Standard SMILES
O=C(O)c1cn(C2CC2)c2nc3cc(N4CCN(CCO)CC4)c(F)cc3cc2c1=O- InChIKey
MWSDXWGNYSXWEU-UHFFFAOYSA-N- Molecular formula
- C22H23FN4O4
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.17033339
Names & identifiers
- Preferred name
- 1-Cyclopropyl-7-fluoro-8-[4-(2-hydroxyethyl)-1-piperazinyl]-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid
- IUPAC
- 1-cyclopropyl-7-fluoro-8-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobenzo[b][1,8]naphthyridine-3-carboxylic acid
Names & synonyms
SCHEMBL9775941MWSDXWGNYSXWEU-UHFFFAOYSA-N1-cyclopropyl-7-fluoro-8-[4-(2-hydroxyethyl)-1-piperazinyl]-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine-3-carboxylic acid1-cyclopropyl-7-fluoro-8-[4-(2-hydroxyethyl)-1-piperazinyl]-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid
Database identifiers
- PubChem CID
- 14700577
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 752
Related reactions
4 records
Compound notes
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