7-苄氧基-4-氯-6-甲氧基喹啉

7-(Benzyloxy)-4-chloro-6-methoxyquinoline

HCID 22646562CAS 286371-49-1

子结构检索查找相似结构

基本信息

标准SMILES: COc1cc2c(Cl)ccnc2cc1OCc1ccccc1
InChIKey: SYKLZPMKNBDEOF-UHFFFAOYSA-N
分子式: C17H14ClNO2
平均分子量: 299.7 g/mol
单同位素质量: 299.07130637

名称与标识

首选名称: 7-(Benzyloxy)-4-chloro-6-methoxyquinoline
IUPAC: 4-chloro-6-methoxy-7-phenylmethoxyquinoline
中文名: 7-苄氧基-4-氯-6-甲氧基喹啉
英文名: 7-Benzyloxy-4-chloro-6-methoxy-quinoline
分子式: C17H14ClNO2
分子量: 299.75

名称与别名

286371-49-17-(benzyloxy)-4-chloro-6-methoxyquinoline7-Benzyloxy-4-chloro-6-methoxyquinoline7-Benzyloxy-4-chloro-6-methoxy-quinolineMFCD129104634-chloro-6-methoxy-7-phenylmethoxyquinolineQUINOLINE, 4-CHLORO-6-METHOXY-7-(PHENYLMETHOXY)-DTXSID806272944-chloro-7-benzyloxy-6-methoxyquinoline4-chloro-7-benzyloxy-6-methoxy-quinolineFT-0726851SCHEMBL371731

展开更多名称

4-氯-6-甲氧基-7-苄氧基喹啉7-苄氧基-4-氯-6-甲氧基喹啉6-甲氧基-7-苄氧基-4-氯-喹啉7-苄氧基-4-氯-6-甲氧基喹啉 1G化学名:7-(苄氧基)-4-氯-6-甲氧基喹啉7-(BENZYLOXY)-4-CHLORO-6-METHOXYQUINOLINE甲氧基喹啉7-苄氧基-4-氯-6-甲氧基喹啉7-BENZYLOXY-4-CHLORO-6-METHOXYQUINOLINE7-(Benzyloxy)6-Methoxy-7-benzyloxy-4-chloroquinoline4-Chloro-6-methoxy-7-benzyloxyquinoline7- (benzoxy) -4-chloro-6-methoxy quinoline7-Benzyloxy-4-chloro-6-methoxy-quinoline ISO 9001：2015 REACH

SCHEMBL30216650SYKLZPMKNBDEOF-UHFFFAOYSA-NAKOS015920385PB33109AS-18263SY0970727-(benzyloxy)-4-chloro-6-methoxyquinolinCS-0050129

数据库标识

CAS: 286371-49-1
PubChem CID: 22646562
DTXSID: DTXSID80627294

性质

结构计算性质

XLogP: 4.3
极性表面积: 31.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 4
重原子: 21
形式电荷: 0
复杂度: 322

物理化学性质

沸点: 434.8 · 434.8±40.0 °C(Predicted)
密度: 1.262 · 1.262
储存条件: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸度系数(pKa): 3.92 · 3.92±0.30(Predicted)
外观: Light brown to brown Solid
InChI: InChI=1S/C17H14ClNO2/c1-20-16-9-13-14(18)7-8-19-15(13)10-17(16)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey: SYKLZPMKNBDEOF-UHFFFAOYSA-N
SMILES: N1C2C(=CC(OC)=C(OCC3=CC=CC=C3)C=2)C(Cl)=CC=1