3-(indazol-3-yl)quinazolin-4(3H)-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-(indazol-3-yl)quinazolin-4(3H)-one
• 英文别名: 3-(1H-indazol-3-yl)quinazolin-4-one
• 化学式: C₁₅H₁₀N₄O
• 分子量: 262.271
• InChiKey: BGKNOHLQZQAJLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-氨基吲唑 在 palladium on activated charcoal 吡啶 、 氢气 作用下， 以 乙醇 为溶剂， 5.0 ℃ 、310.27 kPa 条件下， 反应 29.0h， 生成 3-(indazol-3-yl)quinazolin-4(3H)-one
  参考文献：
  名称：

  Synthesis, Crystallographic Studies and Biological Evaluation of Some 2-Substituted 3-Indazolyl-4(3H)-quinazolinones and 3-Indazolyl-4(3H)-benzotriazinones

  摘要：

  A number of new 3-(indazol-3 and 5-yl)-4(3H)-quinazolinone and 4(3H)-benzotriazinone derivatives were prepared by reaction of 3- or 5-(2-aminobenzamido)indazole with ethyl orthoesters and nitrous acid respectively. Structures were established on the basis of analytical and spectroscopic data. Single-crystal X-ray analysis confirmed the quinazolinone structure of compounds (5). The 4(3H)-quinazolinones and 4(3H)-benzotriazinones were tested at 200 mu g/ml for antimicrobial activity against C. albicans, C. tropicalis and S. aureus, at 100 mu M for their antitumor effect on human-lymphoblast-like cells and finally at 500 mu M for 3 alpha-hydroxysteroid dehydrogenase (3 alpha-HSD) inhibition.

  DOI：

  10.3987/com-96-7549

文献信息

• Synthesis, Crystallographic Studies and Biological Evaluation of Some 2-Substituted 3-Indazolyl-4(3H)-quinazolinones and 3-Indazolyl-4(3H)-benzotriazinones
  作者：Giuseppe Daidone、Salvatore Plescia、Demetrio Raffa、Domenico Schillaci、Benedetta Maggio、Franco Benetollo、Gabriella Bombieri

  DOI：10.3987/com-96-7549

  日期：——

  A number of new 3-(indazol-3 and 5-yl)-4(3H)-quinazolinone and 4(3H)-benzotriazinone derivatives were prepared by reaction of 3- or 5-(2-aminobenzamido)indazole with ethyl orthoesters and nitrous acid respectively. Structures were established on the basis of analytical and spectroscopic data. Single-crystal X-ray analysis confirmed the quinazolinone structure of compounds (5). The 4(3H)-quinazolinones and 4(3H)-benzotriazinones were tested at 200 mu g/ml for antimicrobial activity against C. albicans, C. tropicalis and S. aureus, at 100 mu M for their antitumor effect on human-lymphoblast-like cells and finally at 500 mu M for 3 alpha-hydroxysteroid dehydrogenase (3 alpha-HSD) inhibition.