2-amino-4-(2-chloro-6-methoxy(3-quinolyl))-7,7-dimethyl-5-oxo-1-(4-methoxyphenylamino)-1,4,6,7,8-pentahydro-quinoline-3-carbonitrile | 1394140-93-2

• 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: 2-amino-4-(2-chloro-6-methoxy(3-quinolyl))-7,7-dimethyl-5-oxo-1-(4-methoxyphenylamino)-1,4,6,7,8-pentahydro-quinoline-3-carbonitrile
• 英文别名: 2-amino-4-(2-chloro-6-methoxy-3-quinolyl)-1-(4-methoxyanilino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile；2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-1-(4-methoxyanilino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
• CAS: 1394140-93-2
• 化学式: C₂₉H₂₈ClN₅O₃
• 分子量: 530.026
• InChiKey: SFZURCXFMQCJIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4'-甲氧基乙酰苯胺 在 哌啶 作用下， 以 乙醇 为溶剂， 生成 2-amino-4-(2-chloro-6-methoxy(3-quinolyl))-7,7-dimethyl-5-oxo-1-(4-methoxyphenylamino)-1,4,6,7,8-pentahydro-quinoline-3-carbonitrile
  参考文献：
  名称：

  New N-arylamino biquinoline derivatives: Synthesis, antimicrobial, antituberculosis, and antimalarial evaluation

  摘要：

  A new series of N-arylamino biquinoline derivatives 5a-x were synthesized by reaction of 2-chloro-3-formyl quinolines 2a-d with malononitrile and various enhydrazinoketones 4a-f in absolute ethanol. The newly synthesized compounds were evaluated for their in vitro antimicrobial activity against a representative panel of pathogenic strains and antituberculosis activity against Mycobacterium tuberculosis H37Rv. Compounds Sh and Ss exhibited excellent antibacterial activity and some of the compounds demonstrated moderate antituberculosis activities compared with the first line drugs. The compounds were evaluated in vitro for their activity against the growth of Plasmodium falciparum, the malaria causing parasite. Some of them showed antimalarial activity with IC50 values as low as 0.005-0.009 mu g/mL. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.05.004