Basic information
- CAS
158585-86-5- Standard SMILES
CCOC(=O)c1cn(NCC=O)c2c(F)c(N3CCN(C)CC3)c(F)cc2c1=O- InChIKey
LJYKJQRZKAZZEG-UHFFFAOYSA-N- Molecular formula
- C19H22F2N4O4
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.16091152
Names & identifiers
- Preferred name
- Ethyl 6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(2-oxoethylamino)quinoline-3-carboxylate
- IUPAC
- ethyl 6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(2-oxoethylamino)quinoline-3-carboxylate
- English name
- 6,8-Difluoro-1-(formylmethylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester
- Molecular formula
- C19H22F2N4O4
- Molecular weight
- 408.4
Names & synonyms
ethyl 6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(2-oxoethylamino)quinoline-3-carboxylate6,8-Difluoro-1,4-dihydro-1-(N-methylformamido)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxyliLJYKJQRZKAZZEG-UHFFFAOYSA-N3-Quinolinecarboxylicacid,6,8-difluoro-1-(formylmethylamino)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-,ethyl esterDTXSID50692934AKOS0158387803-Quinolinecarboxylic acid, 6,8-difluoro-1-(formylmethylamino)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, ethyl esterEthyl 6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-[(2-oxoethyl)amino]-1,4-dihydroquinoline-3-carboxylateMaprofloxacin impurity 1Marbofloxacin Impurity 10Phenyl Acetate Impurity 76,8-Difluoro-1-(formylmethylamino)-7-(4-methylpiperazin-1-yl...
Show more names
6,8-Difluoro-1-(formylmethylamino)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-Ethyl 6,8-difluoro-1-(formylmethylamino)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylate
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 669
Physicochemical properties
- Boiling point
- 543.7 · 543.7±60.0 °C(Predicted)
- Density
- 1.41 · 1.41
- solubility
- DCM
- form
- Solid
- pka
- 7.15 · 7.15±0.42(Predicted)
- color
- Light Yellow
- CAS DataBase Reference
- 158585 · 158585-86-5(CAS DataBase Reference)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Applications
Uses6,8-Difluoro-1,4-dihydro-1-(N-methylformamido)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester is an intermediate in the synthesis of Marbofloxacin (M197000), a fluorinated quinolone antibacterial agent.
Upstream & downstream products
Upstream raw materials
Suppliers31 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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