1-benzyl-5-[3-(4-phenyl-piperazin-1-yl)-propoxy]-3,4-dihydro-1H-quinolin-2-one | 72723-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-benzyl-5-[3-(4-phenyl-piperazin-1-yl)-propoxy]-3,4-dihydro-1H-quinolin-2-one
• 英文别名: 1-benzyl-5-[3-(4-phenylpiperazinyl)propoxy]-3,4-dihydrocarbostyril；1-benzyl-5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
• CAS: 72723-21-8
• 化学式: C₂₉H₃₃N₃O₂
• 分子量: 455.6
• InChiKey: ADTACPFYJCJJLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.76
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  36.02
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1-benzyl-5-hydroxy-3,4-dihydrocarbostyril 、 1-(3-氯丙基)-4-苯基哌嗪 生成 1-benzyl-5-[3-(4-phenyl-piperazin-1-yl)-propoxy]-3,4-dihydro-1H-quinolin-2-one
  参考文献：
  名称：

  CAKAHO, KADZUXISA;FUDZIOKA, TAKAFUMI;OKI, YASUO;NAKAGAVA, KADZUYUKI

  摘要：

  DOI：

文献信息

• Pharmaceutically useful carbostyril derivatives
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US04734416A1

  公开（公告）日：1988-03-29

  Carbostyril derivatives having antihistamic action and central nervous controlling action are useful as antihistamic agents or central nervous controlling agents. The derivatives are represented by the general formula, ##STR1## wherein R.sup.1 is a hydrogen atom, an alkyl group having 1 to 6 carbon atoms, an alkenyl group having 2 to 4 carbon atoms, an alkynyl group having 2 to 4 carbon atoms or a phenylalkyl group having an alkylene group containing 1 to 4 carbon atoms; R.sup.2 is a hydrogen atom, an alkyl group having 1 to 4 carbon atoms or a phenyl group; R.sup.3 is a hydrogen atom, a hydroxy group, an alkyl group having 1 to 4 carbon atoms, an alkanolyoxy group having 1 to 4 carbon atoms or a 3,4,5-trimethoxybenzoyloxy group; R.sup.4 is a hydrogen atom or an alkyl group having 1 to 4 carbon atoms; R.sup.5 is a cycloalkyl group having 3 to 8 carbon atoms, a phenyl group (which may have 1 to 3 substituted groups selected from the group consisting of halogen atoms, alkyl groups having 1 to 4 carbon atoms and alkoxy groups having 1 to 4 carbon atoms), an alkyl group having 1 to 4 carbon atoms (having one substituted group such as a hydroxy group, a phenyl group or an alkanoyloxy group having 1 to 4 carbon atoms), an alkanoyl group having 1 to 4 carbon atoms or benzoyl group; X is a halogen atom; n is 0, or an integer of 1 or 2; Q is an integer of 2 or 3, l and m are respectively an integer of 0 or 1-6, but the sum of l and m should not exceed 6; the carbon-carbon bond at the 3- and 4-positions in the carbostyril skeleton is a single or double bond; and the substituted position of the side chain of ##STR2## is any one of the 4-, 5-, 6-, 7- or 8-positions.

  卡波司酯衍生物具有抗组胺作用和中枢神经控制作用，可用作抗组胺剂或中枢神经控制剂。这些衍生物由通式所代表，其中R.sup.1是氢原子、具有1至6个碳原子的烷基基团、具有2至4个碳原子的烯基基团、具有2至4个碳原子的炔基基团或含有1至4个碳原子的烷基基团的苯基基团；R.sup.2是氢原子、具有1至4个碳原子的烷基基团或苯基团；R.sup.3是氢原子、羟基、具有1至4个碳原子的烷基基团、具有1至4个碳原子的烷酰氧基团或3,4,5-三甲氧基苯甲酰氧基团；R.sup.4是氢原子或具有1至4个碳原子的烷基基团；R.sup.5是具有3至8个碳原子的环烷基基团、苯基（可能有1至3个卤素原子、具有1至4个碳原子的烷基基团和具有1至4个碳原子的烷氧基团中选择的取代基）、具有1至4个碳原子的烷基基团（具有一个取代基，如羟基、苯基或具有1至4个碳原子的烷酰氧基团）、具有1至4个碳原子的烷酰基或苯甲酰基；X是卤素原子；n为0或1或2的整数；Q为2或3的整数，l和m分别为0或1至6的整数，但l和m的总和不应超过6；卡波司酯骨架中3-位和4-位的碳-碳键为单键或双键；以及##STR2##的侧链的取代位置为4-、5-、6-、7-或8-位中的任意一个。
• Carbostyril derivatives and pharmaceutical preparations containing same
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US04824840A1

  公开（公告）日：1989-04-25

  Carbostyril derivatives having antihistaminic action and central nervous controlling action are useful as antihistaminic agents or central nervous controlling agents. The derivatives are represented by the general formula, ##STR1## wherein R.sup.1 is a hydrogen atom, an alkyl group having 1 to 6 carbon atoms, an alkenyl group having 2 to 4 carbon atoms, an alkynyl group having 2 to 4 carbon atoms or a phenylalkyl group, an alkylene group containing 1 to 4 carbon atoms; R.sup.2 is a hydrogen atom, an alkyl group having 1 to 4 carbon atoms or a phenyl group; R.sup.3 is a hydrogen atom, a hydroxy group, an alkyl group having 1 to 4 carbon atoms, an alkanoyloxy group having 1 to 4 carbon atoms or a 3,4,5-trimethoxybenzoyloxy group; R.sup.4 is a hydrogen atom or an alkyl group having 1 to 4 carbon atoms; R.sup.5 is a cycloalkyl group having 3 to 8 carbon atoms, a phenyl group (which may have 1 to 3 substituted groups selected from the group consisting of halogen atoms, alkyl groups having 1 to 4 carbon atoms and alkoxy groups having 1 to 4 carbon atoms), an alkyl group having 1 to 4 carbon atoms (having one substituted group such as a hydroxy group, a phenyl group or an alkanoyloxy group having 1 to 4 carbon atoms), an alkanoyl group having 1 to 4 carbon atoms or benzoyl group; X is a halogen atom; n is 0, or an integer of 1 or 2; Q is an integer of 2 or 3, l and m are respectively an integer of 0 to 1-6, but the sum of l and m should not exceed 6; the carbon-carbon bond at the 3- and 4-positions in the carbostyril skeleton is a single or double bond and; the substituted position of the side chain of ##STR2## is any one of the 4-, 5-, 6-, 7- or 8-positions.

  羧基苯基吡啶衍生物具有抗组胺作用和中枢神经控制作用，可用作抗组胺剂或中枢神经控制剂。该衍生物由通式## STR1 ##表示，其中R.sup.1是氢原子，具有1至6个碳原子的烷基，具有2至4个碳原子的烯基，具有2至4个碳原子的炔基或苯基烷基，含有1至4个碳原子的烷基，R.sup.2是氢原子，具有1至4个碳原子的烷基或苯基，R.sup.3是氢原子，羟基，具有1至4个碳原子的烷基，具有1至4个碳原子的烷酰氧基或3,4,5-三甲氧基苯甲酰氧基，R.sup.4是氢原子或具有1至4个碳原子的烷基，R.sup.5是具有3至8个碳原子的环烷基，苯基（可能具有1至3个取代基，所述取代基选自卤原子，具有1至4个碳原子的烷基和具有1至4个碳原子的烷氧基），具有1至4个碳原子的烷基（具有一个取代基，例如羟基，苯基或具有1至4个碳原子的烷酰氧基），具有1至4个碳原子的烷酰基或苯甲酰基; X是卤原子; n为0或1或2的整数; Q为2或3的整数，l和m分别为0至1-6的整数，但l和m的总和不应超过6;羧基吡啶骨架中3-和4-位置的碳-碳键是单键或双键; ## STR2 ##的侧链的取代位置是4-，5-，6-，7-或8-位置之一。
• CAKAHO, KADZUXISA;FUDZIOKA, TAKAFUMI;OKI, YASUO;NAKAGAVA, KADZUYUKI
  作者：CAKAHO, KADZUXISA、FUDZIOKA, TAKAFUMI、OKI, YASUO、NAKAGAVA, KADZUYUKI

  DOI：——

  日期：——
• JPS62149664A
  申请人：——

  公开号：JPS62149664A

  公开（公告）日：1987-07-03
• US4734416A
  申请人：——

  公开号：US4734416A

  公开（公告）日：1988-03-29