2-[4-(3-azaniumylpropylamino)-3-nitrophenyl]-4-oxo-1H-quinolin-3-olate | 1264756-41-3

• 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-[4-(3-azaniumylpropylamino)-3-nitrophenyl]-4-oxo-1H-quinolin-3-olate
• CAS: 1264756-41-3
• 化学式: C₁₈H₁₈N₄O₄
• 分子量: 354.365
• InChiKey: YHKJYCUTFQQJTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  138
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(4-chloro-3-nitrophenyl)-2-oxoethyl 2-aminobenzoate 在 N-甲基吡咯烷酮 作用下， 反应 3.5h， 生成 2-[4-(3-azaniumylpropylamino)-3-nitrophenyl]-4-oxo-1H-quinolin-3-olate
  参考文献：
  名称：

  Fluorescence properties of some 2-(4-amino-substituted-3-nitrophenyl)-3-hydroxyquinolin-4(1H)-ones

  摘要：

  2-(4-Amino-substituted-3-nitrophenyl)-3-hydroxyquinolin-4(1H)-ones have been studied to evaluate their fluorescence properties and possible use as molecular fluorescent probes. The amino group was substituted with various alkyl moieties possessing a suitable terminal functional group (such as hydroxy or amino group) that could serve to bind a 3-hydroxyquinolin-4(1H)-one (3HQ) fluorescence label to a biomolecule. Besides simple hydrocarbon chains, ligands containing ethylenoxy units as optimal spacers were also tested. The structure-fluorescence properties and theoretical applicability of the studied molecules are discussed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.12.013

文献信息

• Fluorescence properties of some 2-(4-amino-substituted-3-nitrophenyl)-3-hydroxyquinolin-4(1H)-ones
  作者：Kamil Motyka、Jan Hlaváč、Miroslav Soural、Pavel Hradil、Petr Krejčí、Lubomír Kvapil、Miloš Weiss

  DOI：10.1016/j.tetlet.2010.12.013

  日期：2011.2

  2-(4-Amino-substituted-3-nitrophenyl)-3-hydroxyquinolin-4(1H)-ones have been studied to evaluate their fluorescence properties and possible use as molecular fluorescent probes. The amino group was substituted with various alkyl moieties possessing a suitable terminal functional group (such as hydroxy or amino group) that could serve to bind a 3-hydroxyquinolin-4(1H)-one (3HQ) fluorescence label to a biomolecule. Besides simple hydrocarbon chains, ligands containing ethylenoxy units as optimal spacers were also tested. The structure-fluorescence properties and theoretical applicability of the studied molecules are discussed. (C) 2010 Elsevier Ltd. All rights reserved.