4-(4-Methylpiperazino)-2-phenylquinoline | 181775-68-8

• 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: 4-(4-Methylpiperazino)-2-phenylquinoline
• 英文别名: 4-(4-methylpiperazin-1-yl)-2-phenylquinoline
• CAS: 181775-68-8
• 化学式: C₂₀H₂₁N₃
• 分子量: 303.407
• InChiKey: JZDZWTQFXWJFLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  19.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻氨基三氟甲苯 在 正丁基锂 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 11.08h， 生成 4-(4-Methylpiperazino)-2-phenylquinoline
  参考文献：
  名称：

  Synthesis and quantitative structure-activity relationship analysis of 2-(aryl or heteroaryl)quinolin-4-amines, a new class of anti-HIV-1 agents

  摘要：

  Thirty-eight 2-(aryl or heteroaryl)quinolin-4-amines, N,N-disubstituted, N-monosubstituted, and without a substituent at the amino group have been synthesized with use of novel chemistries developed by us recently. Some of these derivatives show anti-HIV-1 activity at a concentration level of 1-mu-M and low cell toxicity in vitro. The most active and least toxic compounds are derivatives of 2-(3-pyridyl)quinoline. The results of the quantitative structure-activity relationship analyses, including several classical, linear regression correlations and a Free-Wilson approach, of de novo model, provide guidelines for the design of new active compounds of this class.

  DOI：

  10.1021/jm00109a031

文献信息

• STREKOWSKI, LUCJAN;MOKROSZ, JERZY L.;HONKAN, VIDYA A.;CZARNY, AGNIESZKA;C+, J. MED. CHEM., 34,(1991) N, C. 1739-1746
  作者：STREKOWSKI, LUCJAN、MOKROSZ, JERZY L.、HONKAN, VIDYA A.、CZARNY, AGNIESZKA、C+

  DOI：——

  日期：——
• Synthesis and quantitative structure-activity relationship analysis of 2-(aryl or heteroaryl)quinolin-4-amines, a new class of anti-HIV-1 agents
  作者：Lucjan Strekowski、Jerzy L. Mokrosz、Vidya A. Honkan、Agnieszka Czarny、Marek T. Cegla、Roman L. Wydra、Steven E. Patterson、Raymond F. Schinazi

  DOI：10.1021/jm00109a031

  日期：1991.5

  Thirty-eight 2-(aryl or heteroaryl)quinolin-4-amines, N,N-disubstituted, N-monosubstituted, and without a substituent at the amino group have been synthesized with use of novel chemistries developed by us recently. Some of these derivatives show anti-HIV-1 activity at a concentration level of 1-mu-M and low cell toxicity in vitro. The most active and least toxic compounds are derivatives of 2-(3-pyridyl)quinoline. The results of the quantitative structure-activity relationship analyses, including several classical, linear regression correlations and a Free-Wilson approach, of de novo model, provide guidelines for the design of new active compounds of this class.