HCID17851496

(4-Butylphenyl)(isoquinolin-1-yl)methanone

(4-butylphenyl)-isoquinolin-1-ylmethanone

C20H19NO289.4 g/molCAS 561290-54-8

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IDENTITY

结构与身份

标准SMILES: CCCCc1ccc(C(=O)c2nccc3ccccc23)cc1
InChIKey: JBIISDGNOZMWPC-UHFFFAOYSA-N
分子式: C20H19NO
平均分子量: 289.4 g/mol
单同位素质量: 289.14666423

COMPUTED

结构计算性质

已同步

XLogP: 5.7
极性表面积: 30 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 5
重原子: 22
形式电荷: 0
复杂度: 359

ALIASES

名称与别名

共 7 条

561290-54-8(4-Butylphenyl)(isoquinolin-1-yl)methanoneSCHEMBL1445685DTXSID50591276JBIISDGNOZMWPC-UHFFFAOYSA-N(4-Butylphenyl)(1-isoquinolyl)ketone(4n-butylphenyl)(1-isoquinolyl)ketone

REACTIONS

参与反应

20 条

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07897387B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07897387B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07897387B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07910712B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07910712B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07910712B2

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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