1-Cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HCID 15023787

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 128426-95-9
標準SMILES: O=C(O)c1cn(C2CC2)c2c(OC(F)F)c(F)c(F)cc2c1=O
InChIKey: BABQSAYDWYPDMI-UHFFFAOYSA-N
分子式: C14H9F4NO4
平均分子量: 331.22 g/mol
単同位体質量: 331.04677065

名称と識別子

優先名称: 1-Cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC: 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
英語名: 1-CYCLOPROPYL-6,7-DIFLUORO-8-DIFLUOROMETHOXY-4-OXO-3-QUINOLINE CARBOXYLIC ACID
分子式: C14H9F4NO4
分子量: 331.22

名称と別名

128426-95-91-cyclopropyl-6,7-difluoro-8-difluoromethoxy-4-oxo-3-quinoline carboxylic acid1-Cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-Cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-1,4-dihydro-4-oxo-SCHEMBL3720416DTXSID90567096AKOS015961522AC-140241-cyclopropyl-8-difluoromethoxy-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid1-Cyclopropyl-8-(Difluoromethoxy)-6,7-Difluoro-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

名称をさらに表示

CADR-0091-CYCLOPROPYL-6,7-DIFLUORO-6-DIFLUOROMETHOXY-4-OXO-3-QUINOLINE CARBOXYLIC ACID1-Cyclopropyl-1,4-dihydro-6,7-difluoro-8-difluoromethoxy-4-oxoquinoline-3-carboxylic acid

データベース識別子

CAS: 128426-95-9
PubChem CID: 15023787
DTXSID: DTXSID90567096

物性

構造計算による物性

XLogP: 3.7
極性表面積: 66.8 Å²
水素結合供与体数: 1
水素結合受容体数: 9
回転可能結合数: 4
重原子数: 23
形式電荷: 0
複雑度: 551

物理化学的性質

沸点: 467.9 · 467.9±45.0 °C(Predicted)
比重(密度): 1.673 · 1.673±0.06 g/cm3(Predicted)
酸解離定数(Pka): 6.34 · 6.34±0.50(Predicted)

化学と産業

応用分野

使用1-Cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid is a fluoroquinolone derivative that shows antibacterial activity in vitro.