HCID24957863

3-(3,5-dimethyl-4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)-6,8-dimethoxyisoquinolin-1(2H)-one

3-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6,8-dimethoxy-2H-isoquinolin-1-one

C26H33N3O4451.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCN4CCN(C)CC4)c(C)c3)cc2c1
InChIKey: NGQLYAOOIQDSPO-UHFFFAOYSA-N
分子式: C26H33N3O4
平均分子量: 451.6 g/mol
单同位素质量: 451.24710654

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 63.3 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 7
重原子: 33
形式电荷: 0
复杂度: 681

ALIASES

名称与别名

共 5 条

SCHEMBL348009NGQLYAOOIQDSPO-UHFFFAOYSA-NDB-1281963-(3,5-dimethyl-4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)-6,8-dimethoxyisoquinolin-1(2H)-one3-[3,5-dimethyl-4-[2-(4-methyl-1-piperazinyl)ethoxy]phenyl]-6,8-dimethoxy-1(2H)-Isoquinolinone

REACTIONS

参与反应

2 条

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08889698B2

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uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09199990B2

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