2-Phenyl-quinoline-4-carboxylic acid (5-ethylsulfanyl-[1,3,4]thiadiazol-2-yl)-amide

• 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-Phenyl-quinoline-4-carboxylic acid (5-ethylsulfanyl-[1,3,4]thiadiazol-2-yl)-amide
• 英文别名: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-4-quinolinecarboxamide；N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
• 化学式: C₂₀H₁₆N₄OS₂
• mdl: MFCD03380135
• 分子量: 392.505
• InChiKey: AKNOFIBDFSVONX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-Phenyl-quinoline-4-carboxylic acid (5-ethylsulfanyl-[1,3,4]thiadiazol-2-yl)-amide 在 potassium permanganate 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 2.0h， 以83.3%的产率得到2-Phenyl-quinoline-4-carboxylic acid (5-ethanesulfonyl-[1,3,4]thiadiazol-2-yl)-amide
  参考文献：
  名称：

  Synthesis of Some New Antimicrobial Thiadiazolyl and Oxadiazolyl Quinoline Derivatives

  摘要：

  Two series of substituted thiadiazolyl and oxadiazolylquinolines (3a-h, 4a-h, 7a-f, 8a-f and 9) were synthesized and screened for their antimicrobial activity. Some of the tested compounds showed promising activity. Compound 4b exhibited bactericidal activity against S. aureus at 31.25 mu g/ml. While compound 8a showed distinct antifungal activity against C. albicans (MIC at 31.25 mu g/ml). The detailed synthesis, spectroscopic and biological data are reported.

  DOI：

  10.1007/s00044-005-0138-7
• 作为产物：
  描述：

  2-氨基-5-(乙基硫代)-1,3,4-噻二唑 、 2-苯基-4-喹啉羧酸 在 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以51%的产率得到2-Phenyl-quinoline-4-carboxylic acid (5-ethylsulfanyl-[1,3,4]thiadiazol-2-yl)-amide
  参考文献：
  名称：

  Synthesis of Some New Antimicrobial Thiadiazolyl and Oxadiazolyl Quinoline Derivatives

  摘要：

  Two series of substituted thiadiazolyl and oxadiazolylquinolines (3a-h, 4a-h, 7a-f, 8a-f and 9) were synthesized and screened for their antimicrobial activity. Some of the tested compounds showed promising activity. Compound 4b exhibited bactericidal activity against S. aureus at 31.25 mu g/ml. While compound 8a showed distinct antifungal activity against C. albicans (MIC at 31.25 mu g/ml). The detailed synthesis, spectroscopic and biological data are reported.

  DOI：

  10.1007/s00044-005-0138-7