ethyl 1-cyclopropyl-6,7-difluoro-4-oxo-8-(trifluoromethylsulfonyloxy)-1,4-dihydroquinoline-3-carboxylate | 1194056-49-9
中文名称
——
中文别名
——
英文名称
ethyl 1-cyclopropyl-6,7-difluoro-4-oxo-8-(trifluoromethylsulfonyloxy)-1,4-dihydroquinoline-3-carboxylate
英文别名
Ethyl-1-cyclopropyl-6,7-difluoro-4-oxo-8-(trifluoromethylsulfonyloxy)-1,4-dihydroquinoline-3-carboxylate；ethyl 1-cyclopropyl-6,7-difluoro-4-oxo-8-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate
CAS
1194056-49-9
化学式
C16H12F5NO6S
mdl
——
分子量
441.332
InChiKey
XHUHWKWAUOMVET-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
-
物化性质
-
计算性质
-
ADMET
-
安全信息
-
SDS
-
制备方法与用途
-
上下游信息
-
文献信息
-
表征谱图
-
同类化合物
-
相关功能分类
-
相关结构分类
计算性质
-
辛醇/水分配系数(LogP)：3.6
-
重原子数：29
-
可旋转键数：6
-
环数：3.0
-
sp3杂化的碳原子比例：0.38
-
拓扑面积：98.4
-
氢给体数：0
-
氢受体数：12
上下游信息
-
上游原料
中文名称 英文名称 CAS号 化学式 分子量 1-环丙基-6,7-二氟-1,4-二氢-8-甲氧基-4-氧代-3-喹啉羧酸乙酯 ethyl 8-methoxy-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate 112811-71-9 C16H15F2NO4 323.296 1-环丙基-6,7-二氟-8-羟基-4-氧代-1,4-二氢喹啉-3-甲酸 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinoline carboxylic acid 154093-72-8 C13H9F2NO4 281.216 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— ethyl 1-cyclopropyl-6,7-difluoro-8-hydroxymethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate 1194057-52-7 C16H15F2NO4 323.296 —— ethyl 1-cyclopropyl-6,7-difluoro-4-oxo-8-(3-pyrrolidin-2-ylprop-1-yn-1-yl)-1,4-dihydroquinoline-3-carboxylate 1194059-31-8 C22H22F2N2O3 400.425 —— ethyl 8-(3-((R)-pyrrolidin-2-yl)propyl)-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate 1194056-52-4 C22H26F2N2O3 404.457 —— ethyl 1-cyclopropyl-6,7-difluoro-4-oxo-8-[(pyrrolidin-2-ylmethyl)thio]methyl-1,4-dihydroquinoline-3-carboxylate 1194057-55-0 C21H24F2N2O3S 422.496 —— ethyl 1-cyclopropyl-6,7-difluoro-4-oxo-8-((1Z)-3-pyrrolidin-2-ylprop-1-en-1-yl)-1,4-dihydroquinoline-3-carboxylate 1194059-32-9 C22H24F2N2O3 402.441 —— ethyl 1-cyclopropyl-6,7-difluoro-8-(3-((2R,4R)-4-hydroxypyrrolidin-2-yl)propyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate 1194056-74-0 C22H26F2N2O4 420.456 —— ethyl 1-cyclopropyl-6,7-difluoro-8-((1Z)-3-((2R,4R)-4-hydroxy-1-(trifluoroacetyl)pyrrolidin-2-yl)prop-1-en-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate 1194058-30-4 C24H23F5N2O5 514.449 —— ethyl 13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]thiazepino[5,6-h]quinoline-11-carboxylate 2,2-dioxide 1194057-58-3 C21H23FN2O5S 434.488 —— ethyl 13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]thiazepino[5,6-h]quinoline-11-carboxylate 2-oxide 1194057-60-7 C21H23FN2O4S 418.489 —— ethyl 13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]thiazepino[5,6-h]quinoline-11-carboxylate 1194057-56-1 C21H23FN2O3S 402.49 —— ethyl (7aS,9R)-9-(aminomethyl)-4-cyclopropyl-12-fluoro-1-oxo-4,5,6,7,7a,8,9,10-octahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylate 1194058-56-4 C23H28FN3O3 413.492 —— ethyl (7aR)-4-cyclopropyl-12-fluoro-1,10-dioxo-4,5,6,7,7a,8,9,10-octahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylate 1194058-86-0 C22H23FN2O4 398.434 —— ethyl (6R)-12-cyclopropyl-18-fluoro-15-oxo-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate 1194057-66-3 C22H25FN2O3 384.451 —— ethyl 4-cyclopropyl-12-fluoro-1-oxo-4,5,6,7,7a,8,9,10-octahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylate 1194059-35-2 C22H25FN2O3 384.451 —— ethyl (4S,6R)-4-azido-12-cyclopropyl-18-fluoro-15-oxo-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate 1194059-12-5 C22H24FN5O3 425.463 —— ethyl (7aR,9S)-9-amino-4-cyclopropyl-12-fluoro-1-oxo-4,5,6,7,7a,8,9,10-octahydro-1H-pyrrolo[1',2':1,7]-azepino[2,3h]-quinoline-2-carboxylate 1194057-11-8 C22H26FN3O3 399.465 —— ethyl (7aR,9R)-9-amino-4-cyclopropyl-12-fluoro-1-oxo-4,5,6,7,7a,8,9,10-octahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylate 1194057-38-9 C22H26FN3O3 399.465 —— ethyl 4-cyclopropyl-12-fluoro-5,6-dihydroxy-1-oxo-4,5,6,7,7a,8,9,10-octahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylate 1194059-37-4 C22H25FN2O5 416.449 —— ethyl 7(((1S)-4-tert-butoxy-1-hydroxymethyl-4-oxobutyl)amino)-1-cyclopropyl-6-fluoro-8-hydroxymethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate 1194058-62-2 C25H33FN2O7 492.545 —— ethyl (7aS)-4-cyclopropyl-12-fluoro-1,10-dioxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylate 1194058-84-8 C22H21FN2O4 396.418 —— ethyl 1-cyclopropyl-6-fluoro-7-(2-hydroxymethyl-pyrrolidin-1-yl)-8-hydroxymethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate 1194057-77-6 C21H25FN2O5 404.438 —— ethyl 4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylate 1194059-33-0 C22H23FN2O3 382.435 —— ethyl (7aS,9R)-9-(aminomethyl)-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylate 1194058-53-1 C23H26FN3O3 411.476 —— ethyl (9S)-9-(aminomethyl)-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylate 1194058-75-7 C23H26FN3O3 411.476 —— ethyl (7aR,9R)-4-cyclopropyl-12-fluoro-9-hydroxy-1-oxo-4,5,6,7,7a,8,9,10-octahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylate 1194057-80-1 C22H25FN2O4 400.45 —— 2-tert-butyl 11-ethyl 13-cyclopropyl-8-fluoro-10-oxo-2,3,3a,4,5,6,10,13-octahydro-3H-pyrrolo[2',1':3,4][1,4]diazepino[5,6-h]quinoline-2,11-dicarboxylate 1194057-91-4 C26H32FN3O5 485.556 —— ethyl 13-cyclopropyl-8-fluoro-10-oxo-2,3,3a,4,5,6,10,13-octahydro-3H-pyrrolo[2',1':3,4][1,4]diazepino[5,6-h]quinoline-11-carboxylate 1194057-90-3 C21H24FN3O3 385.438 —— ethyl (7aR,8S)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,5,6,7,7a,8,9,10-octahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylate 1194058-24-6 C22H26FN3O3 399.465 —— ethyl (7aR,8R)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,5,6,7,7a,8,9,10-octahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylate 1194058-12-2 C22H26FN3O3 399.465 ——