Ethanone, 1-[4-(4-bromophenyl)-2,2,4,6-tetramethyl-3,4-dihydro-2H-quinolin-1-yl]-

• 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: Ethanone, 1-[4-(4-bromophenyl)-2,2,4,6-tetramethyl-3,4-dihydro-2H-quinolin-1-yl]-
• 英文别名: 1-[4-(4-bromophenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]ethanone
• 化学式: C₂₁H₂₄BrNO
• 分子量: 386.3
• InChiKey: WVAXDHRFGWSJSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• Tetrahydroquinoline derivatives
  申请人：——

  公开号：US20040236109A1

  公开（公告）日：2004-11-25

  The present invention relates to tetrahydroquinoline derivatives having general formula (I) or a pharmaceutically acceptable salt thereof, wherein R 1 is formyl, (1-6C)alkylcarbonyl or (1-6C)alkylsulfonyl; R 2 and R 3 are H or (1-4C)alkyl; R 4 is phenyl; R 5 is (1-4C)alkyl; Y—X is (CO)—O, (SO) 2 —O, NHC(O)—O, NHC(S)—O, OC(O)—O, bond-O, C(O)—NH, S(O) 2 —NH, NHC(O)—NH, NHC(S)—NH, OC(O)—NH, bond-NH, NH—C(O), O—C(O), NH—S(O) 2 , or O—S(O) 2 or Y—X is a bond; R 6 is H, trifluormethyl, (1-6C)alkyl, 1- or 2-adamantyl(1-4C)alkyl, (2-6C)alkenyl, (3-9C)heteroaryl, (3-6C)cycloalkyl, (2-6C)heterocycloalkyl, (1-4C)alkylthio(1-4C)alkyl, (6-10C)aryl(1-4C)alkyl, (3-9C)heteroaryl(1-4C)alkyl, (3-6C)cycloalkyl(1-4C)alkyl, (2-6C)heterocycloalkyl(1-4C)alkyl, R 8 , R 9 -aminocarbonyl(1-4C)alkyl, R 8 , R 9 -amino(1-4C)alkyl, R 8 -oxycarbonyl(1-4C)alkyl, R 8 -oxy(1-4C)alkyl, R 8 -carbonyl(1-4C)alkyl or (6-10C)aryl; R 7 is H, (1-4C)alkyl, (1-4C)alkoxy, halogen, trifluoromethyl, cyano, nitro hydroxyl; and R 8 and/or R 9 is H, (1-4C)alkyl, (2-4C)alkenyl, (2-4C)alkynyl, (6-10C)aryl, (3-9C)heteroaryl, (6-10C)aryl(1-4C)alkyl, (3-9C)heteroaryl(1-4C)alkyl, (3-6C)cycloalkyl(1-4C)alkyl, (2-6C)heterocycloalkyl(1-4C)alkyl, (1-4C)(di)alkylamino(1-4C)alkyl, (1-4C)alkoxy(1-4C)alkyl, (1-4C)alkylthio(1-4C)alkyl, (1-4C)alkylcarbonylamino(1-4C)alkyl, (1-4C)alkoxycarbonyl(1-4C)alkyl, (1-4C)alkoxycarbonylamino(1-4C)alkyl, (3-6C)cycloalkyl, (2-6C)heterocycloylkyl, or R 8 and R 9 may be joined in a (2-6C)heterocycloalkyl ring. The present invention also relates to pharmaceutical compositions comprising said derivatives and the use of these derivatives to control fertility. 1

  本发明涉及具有一般式（I）或其药学上可接受的盐的四氢喹啉衍生物，其中R1是甲酰基，（1-6C）烷基羰基或（1-6C）烷基磺酰基; R2和R3是H或（1-4C）烷基; R4是苯基; R5是（1-4C）烷基; Y-X是（CO）-O，（SO）2-O，NHC（O）-O，NHC（S）-O，OC（O）-O，键-O，C（O）-NH，S（O）2-NH，NHC（O）-NH，NHC（S）-NH，OC（O）-NH，键-NH，NH-C（O），O-C（O），NH-S（O）2或O-S（O）2，或Y-X是键; R6是H，三氟甲基，（1-6C）烷基，1-或2-金刚烷基（1-4C）烷基，（2-6C）烯基，（3-9C）杂环芳基，（3-6C）环烷基，（2-6C）杂环环烷基，（1-4C）烷基硫（1-4C）烷基，（6-10C）芳基（1-4C）烷基，（3-9C）杂环芳基（1-4C）烷基，（3-6C）环烷基（1-4C）烷基，（2-6C）杂环环烷基（1-4C）烷基，R8，R9-氨基羰基（1-4C）烷基，R8，R9-氨基（1-4C）烷基，R8-氧羰基（1-4C）烷基，R8-氧（1-4C）烷基，R8-羰基（1-4C）烷基或（6-10C）芳基; R7是H，（1-4C）烷基，（1-4C）烷氧基，卤素，三氟甲基，氰基，硝基羟基; R8和/或R9是H，（1-4C）烷基，（2-4C）烯基，（2-4C）炔基，（6-10C）芳基，（3-9C）杂环芳基，（6-10C）芳基（1-4C）烷基，（3-9C）杂环芳基（1-4C）烷基，（3-6C）环烷基（1-4C）烷基，（2-6C）杂环环烷基（1-4C）烷基，（1-4C）（二）烷基氨基（1-4C）烷基，（1-4C）烷氧基（1-4C）烷基，（1-4C）烷基硫（1-4C）烷基，（1-4C）烷基羰基氨基（1-4C）烷基，（1-4C）烷氧基羰基（1-4C）烷基，（1-4C）烷氧基羰基氨基（1-4C）烷基，（3-6C）环烷基，（2-6C）杂环环烷基，或R8和R9可以连接在（2-6C）杂环环烷基环中。本发明还涉及包含所述衍生物的制药组合物以及使用这些衍生物控制生育的方法。
• TETRAHYDROQUINOLINE DERIVATIVES
  申请人：Van Straten Nicole Corine Renée

  公开号：US20120202996A1

  公开（公告）日：2012-08-09

  The present invention relates to tetrahydroquinoline derivatives having general formula I: or a pharmaceutically acceptable salt thereof, wherein R1 is formyl, (1-6C)alkylcarbonyl or (1-6C)alkylsulfonyl; R2 and R3 are H or (1-4C)alkyl; R4 is phenyl; R5 is (1-4C)alkyl; Y—X is C(O)—O, S(O)2-O, NHC(O)—O, NHC(S)—O, OC(O)—O, bond-O, C(O)—NH, S(O)2-NH, NHC(O)—NH, NHC(S)—NH, OC(O)—NH, bond-NH, NH—C(O), O—C(O), NH—S(O)2, or O—S(O)2 or Y—X is a bond; R6 is H, trifluoromethyl, (1-6C)alkyl, 1- or 2-adamantyl(1-4C)alkyl, (2-6C)alkenyl, (2-6C)alkynyl, (3-9C)heteroaryl, (3-6C)cycloalkyl, (2-6C)heterocycloalkyl, (1-4C)alkylthio(1-4C)alkyl, (6-10C)aryl(1-4C)alkyl, (3-9C)heteroaryl(1-4C)alkyl, (3-6C)cycloalkyl(1-4C)alkyl, (2-6C)heterocycloalkyl(1-4C)alkyl, R8,R9-aminocarbonyl(1-4C)alkyl, R8,R9-amino(1-4C)alkyl, R8-oxycarbonyl(1-4C)alkyl, R8-oxy(1-4C)alkyl, R8-carbonyl(1-4C)alkyl or (6-10C)aryl; R7 is H, (1-4C)alkyl, (1-4C)alkoxy, halogen, trifluoromethyl, cyano, nitro, hydroxyl; and R8 and/or R9 is H, (1-4C)alkyl, (2-4C)alkenyl, (2-4C)alkynyl, (6-10C)aryl, (3-9C)heteroaryl, (6-10C)aryl(1-4C)alkyl, (3-9C)heteroaryl(1-4C)alkyl, (3-6C)cycloalkyl(1-4C)alkyl, (2-6C)heterocycloalkyl(1-4C)alkyl, (1-4C)(di)alkylamino(1-4C)alkyl, (1-4C)alkoxy(1-4C)alkyl, (1-4C)alkylthio(1-4C)alkyl, (1-4C)alkylcarbonylamino(1-4C)alkyl, (1-4C)alkoxycarbonyl(1-4C)alkyl, (1-4C)alkoxycarbonylamino(1-4C)alkyl, (3-6C)cycloalkyl, (2-6C)heterocycloalkyl, or R8 and R9 may be joined in a (2-6C)heterocycloalkyl ring. The present invention also relates to pharmaceutical compositions comprising said derivatives and the use of these derivatives to control fertility.

  本发明涉及通式I的四氢喹啉衍生物或其药学上可接受的盐，其中R1为甲酰基，(1-6C)烷基羰基或(1-6C)烷基磺酰基; R2和R3为H或(1-4C)烷基; R4为苯基; R5为(1-4C)烷基; Y-X为C(O)-O、S(O)2-O、NHC(O)-O、NHC(S)-O、OC(O)-O、键-O、C(O)-NH、S(O)2-NH、NHC(O)-NH、NHC(S)-NH、OC(O)-NH、键-NH、NH-C(O)、O-C(O)、NH-S(O)2或O-S(O)2，或Y-X为键; R6为H、三氟甲基、(1-6C)烷基、1-或2-金刚烷基(1-4C)烷基、(2-6C)烯基、(2-6C)炔基、(3-9C)杂环芳基、(3-6C)环烷基、(2-6C)杂环环烷基、(1-4C)烷基硫(1-4C)烷基、(6-10C)芳基(1-4C)烷基、(3-9C)杂环芳基(1-4C)烷基、(3-6C)环烷基(1-4C)烷基、(2-6C)杂环环烷基(1-4C)烷基、R8，R9-氨基羰基(1-4C)烷基、R8，R9-氨基(1-4C)烷基、R8-氧羰基(1-4C)烷基、R8-氧(1-4C)烷基、R8-羰基(1-4C)烷基或(6-10C)芳基; R7为H、(1-4C)烷基、(1-4C)烷氧基、卤素、三氟甲基、氰基、硝基、羟基; R8和/或R9为H、(1-4C)烷基、(2-4C)烯基、(2-4C)炔基、(6-10C)芳基、(3-9C)杂环芳基、(6-10C)芳基(1-4C)烷基、(3-9C)杂环芳基(1-4C)烷基、(3-6C)环烷基(1-4C)烷基、(2-6C)杂环环烷基(1-4C)烷基、(1-4C)(二)烷基氨基(1-4C)烷基、(1-4C)烷氧基(1-4C)烷基、(1-4C)硫基(1-4C)烷基、(1-4C)烷基羰基氨基(1-4C)烷基、(1-4C)烷氧羰基(1-4C)烷基、(1-4C)烷氧羰基氨基(1-4C)烷基、(3-6C)环烷基、(2-6C)杂环环烷基，或R8和R9可以在一个(2-6C)杂环环烷基环中连接。本发明还涉及包含所述衍生物的制药组合物以及使用这些衍生物控制生育的方法。
• TETRAHYDROQUINOLINE DERIVATIVES
  申请人：Akzo Nobel N.V.

  公开号：EP1406628B1

  公开（公告）日：2006-03-08
• US8058441B2
  申请人：——

  公开号：US8058441B2

  公开（公告）日：2011-11-15
• US8258293B2
  申请人：——

  公开号：US8258293B2

  公开（公告）日：2012-09-04