Ethyl 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate
Basic information
- CAS
74011-30-6- Standard SMILES
CCOC(=O)c1cn(CC)c2nc(N3CCNCC3)c(F)cc2c1=O- InChIKey
KCOXGCQZFDAHFC-UHFFFAOYSA-N- Molecular formula
- C17H21FN4O3
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.15976871
Names & identifiers
- Preferred name
- Ethyl 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate
- IUPAC
- ethyl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
- English name
- 1-ETHYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDRO-[1,8]NAPHTHYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C17H21FN4O3
- Molecular weight
- 348.37
Names & synonyms
74011-30-6Ethyl 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylateSCHEMBL11026728DTXSID50517436KCOXGCQZFDAHFC-UHFFFAOYSA-NEN300-186939801-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid ethyl ester1-ETHYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDRO-[1,8]NAPHTHYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, ethyl ester
Database identifiers
- CAS
74011-30-6- PubChem CID
- 13076366
- DTXSID
DTXSID50517436
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 550
Physicochemical properties
- Boiling point
- 551.4 · 551.4±50.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- 8.19 · 8.19±0.10(Predicted)
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Related reactions
1 records
Compound notes
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