Basic information
- CAS
99696-21-6- Standard SMILES
CCOC(=O)c1cn(C2CC2)c2c(Cl)c(F)c(F)cc2c1=O- InChIKey
NUBFPWXUKJGZNA-UHFFFAOYSA-N- Molecular formula
- C15H12ClF2NO3
- Average molar mass
- 327.71 g/mol
- Monoisotopic mass
- 327.04737736
Names & identifiers
- Preferred name
- Ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
- IUPAC
- ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
- English name
- ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydroquinoline-4-oxo-3-carboxyla
- Molecular formula
- C15H12ClF2NO3
- Molecular weight
- 327.71
Names & synonyms
99696-21-6Ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylateDTXSID80544255RefChem:344681DTXCID70495040ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylateSCHEMBL7575069NUBFPWXUKJGZNA-UHFFFAOYSA-NEthyl 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinoline-carboxylateethyl 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylateSitafloxacin Impurity 58ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydroquinoline-4-oxo-3-carboxyla
Show more names
Ethyl8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydroquinoline-4-oxo-3-carboxylateETHYL 8-CHLORO-1-CYCLOPROPYL-6,7-DIFLUORO-4-OXO-1,4-DIHYDROQUINOLINE -3-CARBOXYLATE8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-, ethyl ester
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Melting point
- 160 · 160-162.5℃
- Boiling point
- 450.6 · 450.6±45.0 °C(Predicted)
- Density
- 1.513 · 1.513
- pka
- -4.59 · -4.59±0.40(Predicted)
Chemistry & industry
Suppliers7 total
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Related reactions
5 records
Compound notes
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