1-(4-fluorophenyl)-6,8-difluoro-1,4-dihydro-7-[2-(dimethylaminomethyl)morpholino]-4-oxoquinoline-3-carboxylic acid | 122894-34-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(4-fluorophenyl)-6,8-difluoro-1,4-dihydro-7-[2-(dimethylaminomethyl)morpholino]-4-oxoquinoline-3-carboxylic acid
• 英文别名: 7-[2-[(Dimethylamino)methyl]morpholin-4-yl]-6,8-difluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
• CAS: 122894-34-2
• 化学式: C₂₃H₂₂F₃N₃O₄
• 分子量: 461.441
• InChiKey: PEWKOAWVBSMSLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  73.3
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• Quinolonecarboxylic acid compounds and pharmaceutical use thereof
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：EP0311948A2

  公开（公告）日：1989-04-19

  A quinolonecarboxylic acid compound of the formula I wherein R¹ is an alkyl group, a cycloalkyl group, a haloalkyl group, an alkenyl group, mono- or di-alkylamino groups, a phenyl group or a substituted phenyl group by one to three substituents selected from the group consisting of a halogen atom, an alkyl group, an alkoxy group, a hydroxy group, a nitro group or an amino group, R² is a hydrogen atom, an alkyl group, a cycloalkyl group, an acyl group or an alkoxy­carbonyl group, R³ is a hydrogen atom, an alkyl group or an aralkyl group, or R² and R³ together with the adjacent nitrogen atom form heterocyclic ring, R⁴ is a hydrogen atom or an alkyl group, R⁵ is a hydrogen atom, an alkyl group, an aralkyl group or an ester residue which is readily hydrolyzable in vivo, X is a hydrogen atom, a halogen atom or an alkyl group, n is integer of 1 to 3, and a salt thereof, and pharmaceutical use thereof. Said compounds exhibit antibacterial activities and are useful for the treatment of various infectious diseases.

  式 I 的喹啉羧酸化合物 其中 R¹ 是烷基、环烷基、卤代烷基、烯基、单或双烷基氨基、苯基或被一至三个取代基取代的苯基，取代基可从卤原子、烷基、烷氧基、羟基、硝基或氨基组成的组中选出；R² 是氢原子、烷基、环烷基、酰基或烷氧基羰基、R⁴ 是氢原子或烷基，R⁵ 是氢原子、烷基、芳烷基或在体内易水解的酯残基，X 是氢原子、卤素原子或烷基，n 是 1 至 3 的整数。 上述化合物具有抗菌活性，可用于治疗各种传染性疾病。
• US4889857A
  申请人：——

  公开号：US4889857A

  公开（公告）日：1989-12-26