3-{[(3-(pyridin-4-yl)-1-(p-tolyl)-1H-pyrazol-4-yl)methylene]amino}-2-(o-tolyl)quinazolin-4(3H)-one | 1414886-80-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-{[(3-(pyridin-4-yl)-1-(p-tolyl)-1H-pyrazol-4-yl)methylene]amino}-2-(o-tolyl)quinazolin-4(3H)-one
• CAS: 1414886-80-8
• 化学式: C₃₁H₂₄N₆O
• 分子量: 496.571
• InChiKey: DHPWQTDUORDEGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.81
• 重原子数：
  38.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  77.96
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  对甲基苯肼 在 三氯氧磷 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 13.0h， 生成 3-{[(3-(pyridin-4-yl)-1-(p-tolyl)-1H-pyrazol-4-yl)methylene]amino}-2-(o-tolyl)quinazolin-4(3H)-one
  参考文献：
  名称：

  Synthesis and antitubercular activity of novel pyrazole–quinazolinone hybrid analogs

  摘要：

  A series of 2-(substituted-phenyl)-3-(((3-(pyridin-4-yl)-1-(p-tolyl)-1H-pyrazol-4-yl)methylene)amino)-quinazolin-4(3H)-ones have been synthesized. The structures of the synthesized compounds were assigned on the basis of IR, H-1 NMR, C-13 NMR, and mass spectral data, while their abilities to inhibit growth of Mycobacterium tuberculosis in vitro have been determined. The results show that compounds 5a, 5c, 5d, 5g, and 5k exhibited excellent antitubercular activity with percentage inhibition of 96, 90, 94, 93, and 92, respectively at a minimum inhibitory concentration (MIC) of < 6.25 mu g/mL, whereas compounds 5b, 5e, 5f, 5h, 5i, 5j, and 5l exhibited moderate- to- good antitubercular activity with percentage inhibition of 68, 70, 67, 64, 59, 73, and 67, respectively, at a MIC of > 6.25 mu g/mL. From the secondary screening, the actual MIC of compounds 5a, 5c, 5d, 5g, and 5k are < 3.125.

  DOI：

  10.1007/s00044-012-0351-0