HCID22641908

6-[(3-Fluorophenyl)methoxy]-3,4-dihydroisoquinolin-1(2H)-one

6-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one

C16H14FNO2271.29 g/molCAS 620605-88-1

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IDENTITY

结构与身份

标准SMILES: O=C1NCCc2cc(OCc3cccc(F)c3)ccc21
InChIKey: DUBYHOLRDXMYAY-UHFFFAOYSA-N
分子式: C16H14FNO2
平均分子量: 271.29 g/mol
单同位素质量: 271.10085685

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 38.3 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 20
形式电荷: 0
复杂度: 349

ALIASES

名称与别名

共 7 条

620605-88-1SCHEMBL4425403DTXSID30627244DUBYHOLRDXMYAY-UHFFFAOYSA-N6-[(3-Fluorophenyl)methoxy]-3,4-dihydroisoquinolin-1(2H)-oneZ21691945266-(3-Fluoro-benzyloxy)-3,4-dihydro-2H-isoquinolin-1-one

REACTIONS

参与反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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uspto-grants-2004_11 · 10.6084/m9.figshare.5104873.v1 · US06818774B2

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uspto-grants-2004_11 · 10.6084/m9.figshare.5104873.v1 · US06818774B2

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uspto-grants-2004_11 · 10.6084/m9.figshare.5104873.v1 · US06818774B2

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