2-Ethoxy-7-methoxy-8-methyl-3,4-dihydroquinolin-4-ol

• 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-Ethoxy-7-methoxy-8-methyl-3,4-dihydroquinolin-4-ol
• 英文别名: 2-ethoxy-7-methoxy-8-methyl-3,4-dihydroquinolin-4-ol
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.28
• InChiKey: REOIMZRXOPKTTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  51
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS
  申请人：Janssen R&D Ireland (formerly Tibotec Pharmaceuticals)

  公开号：US20140113929A1

  公开（公告）日：2014-04-24

  Inhibitors of HCV replication of formula (I) and the salts and stereoisomers thereof, wherein each dashed line (represented by - - - - -) represents an optional double bond; X is N, CH and where X bears a double bond it is C; R 1 is —OR 7 , —NH—SO 2 R 8 ; R 2 is hydrogen, and where X is C or CH, R 2 may also be C 1-6 alkyl; R 3 is hydrogen, C 1-6 alkyl, C 1-6 alkoxyC 1-6 alkyl, C 3-7 cycloalkyl; n is 3, 4, 5, or 6; R 4 is C 1-6 alkyl or C 3-7 cycloalkyl; R 5 is hydrogen, halo, C 1-6 alkyl, hydroxy, C 1-6 alkoxy, polyhaloC 1-6 alkyl; R 6 is hydrogen, C 1-6 alkoxy, mono- or diC 1-6 alkylamino; or R 5 and R 6 may form a 5- or 6-membered unsaturated or partially unsaturated ring, optionally comprising one or two selected from O, N and S; R 7 is hydrogen; C 3-7 cycloalkyl optionally substituted with C 1-6 alkyl; or C 1-6 alkyl optionally substituted with C 3-7 cycloalkyl; R 8 is C 3-7 cycloalkyl optionally substituted with C 1-6 alkyl; C 1-6 alkyl optionally substituted with C 3-7 cycloalkyl; or —NR 8a R 8b ; R 8a and R 8b are C 1-6 alkyl, or both may form a 5- or 6-membered saturated heterocyclic ring; pharmaceutical compositions containing compounds (I) and processes for preparing compounds (I).

  公式（I）及其盐和立体异构体抑制HCV复制的抑制剂，其中每个虚线（表示为———）表示可选的双键；X为N，CH，其中X带有双键时为C；R1为—OR7，—NH—SO2R8；R2为氢，当X为C或CH时，R2也可以是C1-6烷基；R3为氢，C1-6烷基，C1-6烷氧基C1-6烷基，C3-7环烷基；n为3、4、5或6；R4为C1-6烷基或C3-7环烷基；R5为氢，卤素，C1-6烷基，羟基，C1-6烷氧基，多卤素C1-6烷基；R6为氢，C1-6烷氧基，单或双C1-6烷基氨基；或R5和R6可以形成一个5或6元不饱和或部分不饱和的环，可选地包括O、N和S中的一个或两个；R7为氢；C3-7环烷基，可选地取代C1-6烷基；或C1-6烷基，可选地取代C3-7环烷基；R8为C3-7环烷基，可选地取代C1-6烷基；C1-6烷基，可选地取代C3-7环烷基；或—NR8aR8b； R8a和R8b为C1-6烷基，或两者可以形成一个5或6元饱和杂环；含有化合物（I）的制药组合物和制备化合物（I）的方法。
• US9365582B2
  申请人：——

  公开号：US9365582B2

  公开（公告）日：2016-06-14