HCID178440232

4-((2-(Ethylamino)-7-fluoro-6-methoxyquinolin-3-yl)methyl)-6,7-dimethoxy-1-propylisoquinolin-3-ol

4-[[2-(ethylamino)-7-fluoro-6-methoxyquinolin-3-yl]methyl]-6,7-dimethoxy-1-propyl-2H-isoquinolin-3-one

C27H30FN3O4479.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCc1nc(O)c(Cc2cc3cc(OC)c(F)cc3nc2NCC)c2cc(OC)c(OC)cc12
InChIKey: ISLNTNBSFHUGEO-UHFFFAOYSA-N
分子式: C27H30FN3O4
平均分子量: 479.5 g/mol
单同位素质量: 479.22203461

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 81.7 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 9
重原子: 35
形式电荷: 0
复杂度: 941

ALIASES

名称与别名

共 6 条

CHEMBL3643889SCHEMBL11971530ISLNTNBSFHUGEO-UHFFFAOYSA-NBDBM1871934-((2-(ethylamino)-7-fluoro-6-methoxyquinolin-3-yl)methyl)-6,7-dimethoxy-1-propylisoquinolin-3-olUS9670181, 70 4-((2-(ethylamino)-7-fluoro-6-methoxyquinolin-3-yl)methyl)-6,7-dimethoxy-1-propylisoquinolin-3-ol

REACTIONS

参与反应

1 条

uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08772316B2

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