3-[(Z)-[1-(dimethylaminomethyl)-2-oxo-indolin-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-[(Z)-[1-(dimethylaminomethyl)-2-oxo-indolin-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one
• 英文别名: 3-[(Z)-[1-[(dimethylamino)methyl]-2-oxoindol-3-ylidene]amino]-2-methylsulfanylquinazolin-4-one
• 化学式: C₂₀H₁₉N₅O₂S
• 分子量: 393.469
• InChiKey: JXHVBTRFFDGQDC-XLNRJJMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  93.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-amino-2-(methylthio)quinazolin-4(3H)-one 在 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 4.0h， 生成 3-[(Z)-[1-(dimethylaminomethyl)-2-oxo-indolin-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one
  参考文献：
  名称：

  Synthesis, antibacterial, antifungal and anti-HIV evaluation of Schiff and Mannich bases of isatin derivatives with 3-amino-2-methylmercapto quinazolin-4(3H)-one

  摘要：

  Isatin (Indole 2,3-dione), its 5-chloro and 5-bromo derivatives were added to 3-amino-2-methylmercapto quinazolin-4(3H)-one to form Schiff bases and the N-Mannich bases of these compounds were synthesized by reacting with formaldehyde and several secondary amines. Their chemical structures have been confirmed by means of their IR, 1H-NMR data and by elemental analysis. Investigation of antimicrobial activity of compounds was done by an agar dilution method against 26 pathogenic bacteria, 8 pathogenic fungi and anti-HIV activity against replication of HIV-1 (III B) in MT-4 cells. Among the compounds tested 5-chloro-3-(3',4'-dihydro-2'-methylmercapto-4'-oxoquinazolin-3'-yl )- l-morpholino methyl imino isatin was the most active antimicrobial agent.

  DOI：

  10.1016/s0031-6865(99)00010-2

文献信息

• Synthesis, antibacterial, antifungal and anti-HIV evaluation of Schiff and Mannich bases of isatin derivatives with 3-amino-2-methylmercapto quinazolin-4(3H)-one
  作者：S.N. Pandeya、D. Sriram、G. Nath、E. De Clercq

  DOI：10.1016/s0031-6865(99)00010-2

  日期：1999.12

  Isatin (Indole 2,3-dione), its 5-chloro and 5-bromo derivatives were added to 3-amino-2-methylmercapto quinazolin-4(3H)-one to form Schiff bases and the N-Mannich bases of these compounds were synthesized by reacting with formaldehyde and several secondary amines. Their chemical structures have been confirmed by means of their IR, 1H-NMR data and by elemental analysis. Investigation of antimicrobial activity of compounds was done by an agar dilution method against 26 pathogenic bacteria, 8 pathogenic fungi and anti-HIV activity against replication of HIV-1 (III B) in MT-4 cells. Among the compounds tested 5-chloro-3-(3',4'-dihydro-2'-methylmercapto-4'-oxoquinazolin-3'-yl )- l-morpholino methyl imino isatin was the most active antimicrobial agent.