HCID5328846

4-[(4-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile

4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile

C18H14FN3O2323.3 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc2ncc(C#N)c(Nc3ccc(F)cc3)c2cc1OC
InChIKey: PICBGXSASXFIAL-UHFFFAOYSA-N
分子式: C18H14FN3O2
平均分子量: 323.3 g/mol
单同位素质量: 323.10700486

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 67.2 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 4
重原子: 24
形式电荷: 0
复杂度: 460

ALIASES

名称与别名

共 8 条

4-[(4-fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrileBDBM4451CHEMBL432396SCHEMBL6381464PICBGXSASXFIAL-UHFFFAOYSA-NAKOS0049573584-(4-Fluorophenylamino)-6,7-dimethoxyquinoline-3-carbonitrile4-[(4-fluorophenyl)amino]-6,7-dimethoxy-3-quinolinecarbonitrile

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-1999_12 · 10.6084/m9.figshare.5104873.v1 · US06002008

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uspto-grants-2002_05 · 10.6084/m9.figshare.5104873.v1 · US06384051B1

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