73609-04-8 ((3Z)-3-[1,3]二氧杂环[4,5-g]异喹啉-5(6H)-亚基-4,5-二甲氧基-6-氧代环己烷-1,4-二烯-1-甲醛,(3Z)-3-[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene-4,5-dimethoxy-6-oxocyclohexa-1,4-diene-1-carbaldehyde)

CAS号:
73609-04-8
中文名称:
(3Z)-3-[1,3]二氧杂环[4,5-g]异喹啉-5(6H)-亚基-4,5-二甲氧基-6-氧代环己烷-1,4-二烯-1-甲醛
英文名称:
(3Z)-3-[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene-4,5-dimethoxy-6-oxocyclohexa-1,4-diene-1-carbaldehyde
分子式:
C19H15NO6
分子量:
353.325505495071

(3Z)-3-[1,3]二氧杂环[4,5-g]异喹啉-5(6H)-亚基-4,5-二甲氧基-6-氧代环己烷-1,4-二烯-1-甲醛(73609-04-8)名称与标识符

名称

英文别名:
(3Z)-3-[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene-4,5-dimethoxy-6-oxocyclohexa-1,4-diene-1-carbaldehyde;1,3-Dioxolo[4,5-g]isoquinolin-5-yl(2-hydroxy-3,4-dimethoxyphenyl)methanone;C09634;[1,3]dioxolo[4,5-g]isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxyphenyl)methanone;AC1L9CNH;Rugosinone;CHEBI:8912;Q27108183;73609-04-8;(2H-[1,3]Dioxolo[4,5-g]isoquinolin-5-yl)(2-hydroxy-3,4-dimethoxyphenyl)methanone;DTXSID20994396;CTK9A3053;[1,3]dioxolo[4,5-g]isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxy-phenyl)methanone;1,3-Dioxolo(4,5-g)isoquinolin-5-yl(2-hydroxy-3,4-dimethoxyphenyl)methanone;(1,3)dioxolo(4,5-g)isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxyphenyl)methanone;(1,3)dioxolo(4,5-g)isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxy-phenyl)methanone;

标识符

InChIKey:
MMPVUYPJIFYAEK-UHFFFAOYSA-N
Inchi:
1S/C19H15NO6/c1-23-13-4-3-11(18(22)19(13)24-2)17(21)16-12-8-15-14(25-9-26-15)7-10(12)5-6-20-16/h3-8,22H,9H2,1-2H3
SMILES:
O1COC2C=C3C=CN=C(C(C4C=CC(=C(C=4O)OC)OC)=O)C3=CC1=2

(3Z)-3-[1,3]二氧杂环[4,5-g]异喹啉-5(6H)-亚基-4,5-二甲氧基-6-氧代环己烷-1,4-二烯-1-甲醛(73609-04-8)物化性质

计算特性

  • 精确分子量 : 353.08993720g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 4
  • 同位素质量 : 353.08993720g/mol
  • 重原子数量 : 26
  • 复杂度 : 516
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.7
  • 拓扑分子极性表面积 : 87.1Ų