3-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-2-phenyl-4(3H)-quinazolinone

• 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-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-2-phenyl-4(3H)-quinazolinone
• 英文别名: 3-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-2-phenylquinazolin-4-one
• 化学式: C₂₉H₂₈N₄O
• 分子量: 448.568
• InChiKey: CLDCCLAAWLELPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  51.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-氟-3-(哌啶-4-基)-1H-吲哚 生成 3-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-2-phenyl-4(3H)-quinazolinone
  参考文献：
  名称：

  VANDENBERK, J.;KENNIS, L.;VAN, DER, AA, M.;VAN, HEERTUM, A.

  摘要：

  DOI：

文献信息

• Piperidinylalkyl quinazoline compounds, composition and method of use
  申请人：Janssen Pharmaceutica, N.V.

  公开号：US04335127A1

  公开（公告）日：1982-06-15

  Novel quinazoline derivatives, comprising in the heterocyclic part of their quinazoline nucleus at least one carbonyl or thiocarbonyl group and a particularly substituted piperidinyl-alkyl side chain, said compounds being potent serotonin-antagonists.

  新型喹唑啉衍生物，在其喹唑啉核的杂环部分至少含有一个羰基或硫代羰基基团和一个特异取代的哌啶基烷基侧链，所述化合物是有效的5-羟色胺拮抗剂。
• (Piperidinylalkyl) quinazoline derivatives
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04522945A1

  公开（公告）日：1985-06-11

  Novel quinazoline derivatives, comprising in the heterocyclic part of their quinazoline nucleus at least one carbonyl or thiocarbonyl group and a particularly substituted piperidinyl-alkyl side chain, said compounds being potent serotonin-antagonists.

  新型喹唑啉衍生物，其喹唑啉核的杂环部分至少包含一个羰基或硫代羰基基团和一个特别取代的哌啶基-烷基侧链，这些化合物具有强效的5-羟色胺拮抗作用。
• (Piperidinylalkyl)quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0013612A2

  公开（公告）日：1980-07-23

  Quinazoline derivatives of the formula wherein Ar is an aryl × is>=O wherein Ra is hydrogen or alkyl and and q is 2 or 3; R is hydorgen, hydroxy and alkyl; Alk is an alkylene chain having from 1 to4 carbon atoms and 0 is a quinazolinyl radical, the 1-,2-,3- or 4-position of which is connected with the alkylene side chain, said quinazohnyl radical bearing in one or both of its 2- and 4-positions a carbonyl or thiocarbonyl group, wherein the benzene ring of said quinazolinyl radical is optionally substituted with 1 to 3 substituents each independently selected from the group consisting of halo, alkyl, alkyloxy, trifluoromethyl, nitro and cyano, and wherein the pyrimidino ring of said quinazolinyl radical may be partly or fully saturated, said pyrimidino ring being optionally substituted with 1 to 3 substituents independently selected from the group consisting of alkyl, aryl and aryl(lower alkyl); wherein said aryl as used in the definition of said Ar and of said Q is a member selected from the group consisting of phenyl, substituted phenyl, thienyl and pyridinyl, wherein said substituted phenyl has from 1 to 3 substituents each independently selected from the group consisting of halo, lower alkyl, lower alkyloxy, trifluoromethyl and amino. These derivatives are serotonin antagagonists. Further are described compounds of the formula (Q. Alk and R have the same meaning as above), R, and R, being hydrogen, halogen, alkyl, alkoxy, CF, and amino, having the same activity.

  式中的喹唑啉衍生物 式中 Ar 是芳基 × >=O 其中 Ra 是氢或烷基，q 是 2 或 3；R 是氢根、羟基和烷基； Alk 是具有 1 至 4 个碳原子的亚烷基链，0 是喹唑啉基，其 1-、2-、3-或 4-位与亚烷基侧链相连，所述喹唑啉基在其 2-和 4-位中的一个或两个位置上带有羰基或硫代羰基，其中所述喹唑啉基的苯环任选被 1 至 3 个取代基取代，每个取代基独立地选自由卤代、烷基、烷氧基、三氟甲基、硝基和氰基，其中所述喹唑啉基的嘧啶环可部分或完全饱和，所述嘧啶环可任选被 1 至 3 个各自独立选自烷基、芳基和芳基（低级烷基）的取代基取代； 其中，在所述 Ar 和所述 Q 的定义中使用的所述芳基选自苯基、取代苯基、噻吩基和吡啶基组成的组，其中所述取代苯基具有 1 至 3 个各自独立选自卤代、低级烷基、低级烷氧基、三氟甲基和氨基组成的组的取代基。这些衍生物是血清素拮抗剂。此外，还描述了如下式子的化合物 (Q.烷基和 R 的含义同上），R 和 R 为氢、卤素、烷基、烷氧基、CF 和氨基，具有相同的活性。
• VANDENBERK, J.;KENNIS, L.;VAN, DER, AA, M.;VAN, HEERTUM, A.
  作者：VANDENBERK, J.、KENNIS, L.、VAN, DER, AA, M.、VAN, HEERTUM, A.

  DOI：——

  日期：——
• US4335127A
  申请人：——

  公开号：US4335127A

  公开（公告）日：1982-06-15