3'-(4-methoxyphenyl)-1-methyl-1'H-spiro[indoline-3,2'-quinazoline]-2,4'(3'H)-dione

• 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: 3'-(4-methoxyphenyl)-1-methyl-1'H-spiro[indoline-3,2'-quinazoline]-2,4'(3'H)-dione
• 英文别名: 4'-hydroxy-3'-(4-methoxyphenyl)-1-methyl-3'H-spiro[indole-3,2'-quinazolin]-2(1H)-one；3-(4-methoxyphenyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
• 化学式: C₂₃H₁₉N₃O₃
• 分子量: 385.422
• InChiKey: QBIQXCWBQAYPDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-甲基靛红 、 靛红酸酐 、 甲氧苯胺 在 cerium(IV) oxide 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 以93%的产率得到3'-(4-methoxyphenyl)-1-methyl-1'H-spiro[indoline-3,2'-quinazoline]-2,4'(3'H)-dione
  参考文献：
  名称：

  Design, synthesis and docking studies of some spiro-oxindole dihydroquinazolinones as antibacterial agents

  摘要：

  Two series of spiro-oxindole dihydroquinazolinone derivatives have been designed and synthesized using a catalytic amount of nano cerium oxide with excellent product yields by a convenient one-pot process. The synthesized compounds were evaluated for their in vitro antibacterial activity, and compounds 1i-1p showed considerable antibacterial activities to Escherichia coli. Molecular docking of E. coli Biotin Carboxylase (EcBC) enzyme was also performed in order to predict the interactions of the synthesized compounds. (C) 2016 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2015.12.055

文献信息

• Design, synthesis and docking studies of some spiro-oxindole dihydroquinazolinones as antibacterial agents
  作者：Jin Zhang、Jiawen Zhao、Liangpeng Wang、Jia Liu、Decheng Ren、Yangmin Ma

  DOI：10.1016/j.tet.2015.12.055

  日期：2016.2

  Two series of spiro-oxindole dihydroquinazolinone derivatives have been designed and synthesized using a catalytic amount of nano cerium oxide with excellent product yields by a convenient one-pot process. The synthesized compounds were evaluated for their in vitro antibacterial activity, and compounds 1i-1p showed considerable antibacterial activities to Escherichia coli. Molecular docking of E. coli Biotin Carboxylase (EcBC) enzyme was also performed in order to predict the interactions of the synthesized compounds. (C) 2016 Published by Elsevier Ltd.