4-[(2-fluoro-4-methoxyphenyl)amino]-6-[3-(morpholin-4-yl)propyloxy]-7-methoxyquinazoline

• 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: 4-[(2-fluoro-4-methoxyphenyl)amino]-6-[3-(morpholin-4-yl)propyloxy]-7-methoxyquinazoline
• 化学式: C₂₃H₂₇FN₄O₄
• 分子量: 442.49
• InChiKey: PSTNPNBUAVZESP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.63
• 重原子数：
  32.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  77.97
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  4-[(2-fluoro-4-methoxyphenyl)amino]-6-[3-(morpholin-4-yl)propyloxy]-7-methoxyquinazoline 、 丙烯酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以59%的产率得到4-[N-acryloyl-(2-fluoro-4-methoxyphenyl)amino]-6-[3-(morpholin-4-yl)propyloxy]-7-methoxyquinazoline
  参考文献：
  名称：

  Acrylamide Functional Group Incorporation Improves Drug-like Properties: An Example with EGFR Inhibitors

  摘要：

  We demonstrate that the acrylamide group can be used to improve the drug-like properties of potential drug candidates. In the EGFR inhibitor development, both the solubility and membrane permeability properties of compounds 6a and 7, each containing an acrylamide group, were substantially better than those of gefitinib (1) and AZD3759 (2), respectively. We demonstrated that incorporation of an acrylamide moiety could serve as a good strategy for improving drug-like properties.

  DOI：

  10.1021/acsmedchemlett.8b00270
• 作为产物：
  描述：

  7-甲氧基-6-(3-吗啉-4-基丙氧基)喹唑啉-4(3H)-酮 在 溶剂黄146 、 三乙胺 、 三氯氧磷 作用下， 反应 10.0h， 生成 4-[(2-fluoro-4-methoxyphenyl)amino]-6-[3-(morpholin-4-yl)propyloxy]-7-methoxyquinazoline
  参考文献：
  名称：

  Acrylamide Functional Group Incorporation Improves Drug-like Properties: An Example with EGFR Inhibitors

  摘要：

  We demonstrate that the acrylamide group can be used to improve the drug-like properties of potential drug candidates. In the EGFR inhibitor development, both the solubility and membrane permeability properties of compounds 6a and 7, each containing an acrylamide group, were substantially better than those of gefitinib (1) and AZD3759 (2), respectively. We demonstrated that incorporation of an acrylamide moiety could serve as a good strategy for improving drug-like properties.

  DOI：

  10.1021/acsmedchemlett.8b00270

文献信息

• Acrylamide Functional Group Incorporation Improves Drug-like Properties: An Example with EGFR Inhibitors
  作者：Kuen-Da Wu、Grace Shiahuy Chen、Jia-Rong Liu、Chen-En Hsieh、Ji-Wang Chern

  DOI：10.1021/acsmedchemlett.8b00270

  日期：2019.1.10

  We demonstrate that the acrylamide group can be used to improve the drug-like properties of potential drug candidates. In the EGFR inhibitor development, both the solubility and membrane permeability properties of compounds 6a and 7, each containing an acrylamide group, were substantially better than those of gefitinib (1) and AZD3759 (2), respectively. We demonstrated that incorporation of an acrylamide moiety could serve as a good strategy for improving drug-like properties.