2-(5-(3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)pentyloxy)quinoline | 1443679-79-5

• 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-(5-(3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)pentyloxy)quinoline
• 英文别名: 2-[5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentoxy]quinoline
• CAS: 1443679-79-5
• 化学式: C₂₅H₃₀N₂O₃
• 分子量: 406.525
• InChiKey: INJGSIJSDCLFLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  43.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6,7-二甲氧基-1,2,3,4-四氢异喹啉 、 2-(5-chloropentyloxy)quinoline 在 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以50%的产率得到2-(5-(3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)pentyloxy)quinoline
  参考文献：
  名称：

  Activity–lipophilicity relationship studies on P-gp ligands designed as simplified tariquidar bulky fragments

  摘要：

  A series of alkyloxyquinoline derivatives has been developed to evaluate the relationship between P-gp potency and lipophilicity. The results show a satisfactory lipophilicity-activity correlation although a series of derivatives showing higher P-gp potency is needed in order to confirm this hypothesis. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.05.019

文献信息

• Activity–lipophilicity relationship studies on P-gp ligands designed as simplified tariquidar bulky fragments
  作者：Marialessandra Contino、Laura Zinzi、Mariangela Cantore、Maria Grazia Perrone、Marcello Leopoldo、Francesco Berardi、Roberto Perrone、Nicola Antonio Colabufo

  DOI：10.1016/j.bmcl.2013.05.019

  日期：2013.7

  A series of alkyloxyquinoline derivatives has been developed to evaluate the relationship between P-gp potency and lipophilicity. The results show a satisfactory lipophilicity-activity correlation although a series of derivatives showing higher P-gp potency is needed in order to confirm this hypothesis. (C) 2013 Elsevier Ltd. All rights reserved.