2-(3,4-difluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one | 1026632-68-7

• 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-(3,4-difluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one
• CAS: 1026632-68-7
• 化学式: C₁₈H₁₅F₂NO₄
• 分子量: 347.318
• InChiKey: POPOLTAMSJJWMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  56.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(3,4-difluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one 在 氢溴酸 作用下， 生成
  参考文献：
  名称：

  Synthesis and topoisomerase inhibitory activities of novel aza-analogues of flavones11Part of the work was presented at the XIVth International Symposium on Medicinal Chemistry, Maastricht, NL, 1996 (Abst. P–10.17)

  摘要：

  A series of aza-flavones (3-hydroxy-2-phenyl-4-quinolones) were designed and synthesized as inhibitors of bacterial DNA-gyrase and mammalian topoisomerase II. Structure activity relationships of the compounds against each of the enzymes are discussed. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80087-7
• 作为产物：
  描述：

  3,4-二氟苯甲酰氯 在 吡啶 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 160.0~165.0 ℃ 、1.24 MPa 条件下， 生成 2-(3,4-difluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one
  参考文献：
  名称：

  Synthesis and topoisomerase inhibitory activities of novel aza-analogues of flavones11Part of the work was presented at the XIVth International Symposium on Medicinal Chemistry, Maastricht, NL, 1996 (Abst. P–10.17)

  摘要：

  A series of aza-flavones (3-hydroxy-2-phenyl-4-quinolones) were designed and synthesized as inhibitors of bacterial DNA-gyrase and mammalian topoisomerase II. Structure activity relationships of the compounds against each of the enzymes are discussed. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80087-7

文献信息

• Synthesis and topoisomerase inhibitory activities of novel aza-analogues of flavones11Part of the work was presented at the XIVth International Symposium on Medicinal Chemistry, Maastricht, NL, 1996 (Abst. P–10.17)
  作者：Zhihua Sui、Van N Nguyen、Jason Altom、Jeffrey Fernandez、Jamese J Hilliard、Jeffrey I Bernstein、John F Barrett、Kwasi A Ohemeng

  DOI：10.1016/s0223-5234(99)80087-7

  日期：1999.5

  A series of aza-flavones (3-hydroxy-2-phenyl-4-quinolones) were designed and synthesized as inhibitors of bacterial DNA-gyrase and mammalian topoisomerase II. Structure activity relationships of the compounds against each of the enzymes are discussed. (C) Elsevier, Paris.