3-(2-aminoethyl)-6-nitro-2-phenylquinazolin-4(3H)-one | 1367326-18-8

• 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-(2-aminoethyl)-6-nitro-2-phenylquinazolin-4(3H)-one
• 英文别名: 3-(2-aminoethyl)-6-nitro-2-phenylquinazolin-4-one
• CAS: 1367326-18-8
• 化学式: C₁₆H₁₄N₄O₃
• 分子量: 310.312
• InChiKey: YEOJLKLGZJNEEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2-aminoethyl)-6-nitro-2-phenylquinazolin-4(3H)-one 、 1,2,4-三氯萘 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以70.2%的产率得到1-(2-chloro-phenyl)-3-[2-(6-nitro-4-oxo-2-phenyl-4H-quinazolin-3-yl)ethyl]urea
  参考文献：
  名称：

  Synthesis, characterization, and pharmacological evaluation of 1-[2-(6-nitro-4-oxo-2-phenyl-4H-quinazolin-3-yl)-ethyl]-3-phenyl ureas

  摘要：

  In the present communication, a series based on 1-[2-(6-nitro-4-oxo-2-phenyl-4H-quinazolin-3-yl)-ethyl]-3- phenyl-urea have been synthesized by an efficient synthetic protocol. The synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR spectroscopy, ESI Mass spectrometry, and elemental analysis. The antibacterial and antifungal activity of the compounds were studied against selected strains (Pseudomonas aeruginosa ATCC 27853, Escherichia coli ATCC 25922, Staphylococcus aureus ATCC 25923, Bacillus subtilis ATCC 11774, and Candida albicans ATCC 66027) by using Kirby Bauer disk diffusion technique and broth dilution technique. All the synthesized compounds showed good antifungal potency against strain C. albicans.

  DOI：

  10.1007/s00044-012-0004-3
• 作为产物：
  描述：

  苯甲酰氯 在 吡啶 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 3-(2-aminoethyl)-6-nitro-2-phenylquinazolin-4(3H)-one
  参考文献：
  名称：

  Synthesis, characterization, and pharmacological evaluation of 1-[2-(6-nitro-4-oxo-2-phenyl-4H-quinazolin-3-yl)-ethyl]-3-phenyl ureas

  摘要：

  In the present communication, a series based on 1-[2-(6-nitro-4-oxo-2-phenyl-4H-quinazolin-3-yl)-ethyl]-3- phenyl-urea have been synthesized by an efficient synthetic protocol. The synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR spectroscopy, ESI Mass spectrometry, and elemental analysis. The antibacterial and antifungal activity of the compounds were studied against selected strains (Pseudomonas aeruginosa ATCC 27853, Escherichia coli ATCC 25922, Staphylococcus aureus ATCC 25923, Bacillus subtilis ATCC 11774, and Candida albicans ATCC 66027) by using Kirby Bauer disk diffusion technique and broth dilution technique. All the synthesized compounds showed good antifungal potency against strain C. albicans.

  DOI：

  10.1007/s00044-012-0004-3