Basic information
- Standard SMILES
CCOC(=O)c1cn(C)c2nc3c(F)c(N4CCNC(C)C4)c(F)cc3cc2c1=O- InChIKey
VMOPHVWFXPAOBK-UHFFFAOYSA-N- Molecular formula
- C21H22F2N4O3
- Average molar mass
- 416.4 g/mol
Names & identifiers
- Preferred name
- (RS)-3-ethoxycarbonyl-7,9-difluoro-1-methyl-8-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine
- IUPAC
- ethyl 7,9-difluoro-1-methyl-8-(3-methylpiperazin-1-yl)-4-oxobenzo[b][1,8]naphthyridine-3-carboxylate
Names & synonyms
SCHEMBL9775878VMOPHVWFXPAOBK-UHFFFAOYSA-N(RS)-3-ethoxycarbonyl-7,9-difluoro-1-methyl-8-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-benzo[ b][1,8]naphthyridine(RS)-3-ethoxycarbonyl-7,9-difluoro-1-methyl-8-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine(RS)-3-ethoxycarbonyl-7,9-difluoro-1-methyl-8-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine
Database identifiers
- PubChem CID
- 20063299
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 720
Related reactions
6 records
Compound notes
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