(Et₃NH)[Zn(2-phenyl-3-hydroxy-4(1H)-quinolinone)Cl₂] | 1554337-38-0

• 英文名称: (Et₃NH)[Zn(2-phenyl-3-hydroxy-4(1H)-quinolinone)Cl₂]
• 英文别名: (Et₃NH)[Zn(qui)Cl₂]
• CAS: 1554337-38-0
• 化学式: C₆H₁₆N*C₁₅H₁₀Cl₂NO₂Zn
• 分子量: 474.746
• InChiKey: UJBHYBGFXSXGDD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  3-羟基-2-苯基-2,3-二氢-4(1H)-喹啉酮 、 三乙胺 、 zinc(II) chloride 以 乙醇 为溶剂， 反应 1.0h， 以66%的产率得到(Et₃NH)[Zn(2-phenyl-3-hydroxy-4(1H)-quinolinone)Cl₂]
  参考文献：
  名称：

  A zinc(II) quinolinone complex (Et3NH)[Zn(qui)Cl2]: Synthesis, X-ray structure, spectral properties and in vitro cytotoxicity

  摘要：

  A new zinc(II) complex with 2-phenyl-3-hydroxy-4(1H)-quinolinone (Hqui) of the composition (Et3NH)[Zn(qui)Cl-2] was prepared and characterized by elemental analysis, FT IR, 1D and 2D NMR, and fluorescence spectroscopy, mass spectrometry and single crystal X-ray analysis. The molecular structure is composed of the triethylammonium (Et3NH+) cations and tetrahedral [Zn-II(qui)Cl-2](-) complex anions, in which the Zn(II) atoms are bidentate coordinated by one qui ligand through keto (O-K) and phenolate (O-p) oxygen atoms and by two chlorido ligands, thus forming the {O2Cl2} donor set, with Zn-O-K = 1.9860(14) angstrom, Zn-O-p 1.9961(14) angstrom and Zn-Cl = 2.2509(6) angstrom and 2.2266(6) angstrom. The complex cations are aligned into 1D supramolecular chains through the N-H...Cl hydrogen bonding between the amine group of the quinolinone ligand and the chlorido ligand of the adjacent complex anion. The amine group from the Et3NH+ cations provides the N H...O-p hydrogen bond with the phenolate oxygen atoms from the complex anion. Screening of in vitro cytotoxicity of the compound was studied on human osteosarcoma (HOS) and human breast adenocarcinoma (MCF7) cell lines, with IC50> 50 mu M. The fluorescence study showed that the complex exhibits a relatively high integral intensity (29%) as compared to the standard quinine sulfate, and 1.6-fold enhancement of emission with respect to free Hqui. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2013.12.050