HCID68694508

17-[2-Ethoxy-8-methylquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid

17-(2-ethoxy-8-methylquinolin-4-yl)oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid

C30H37N3O6535.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOc1cc(OC2CC3C(=O)NC4(C(=O)O)CC4C=CCCCCN(C)C(=O)C3C2)c2cccc(C)c2n1
InChIKey: VRKCKWLSJXJKQS-UHFFFAOYSA-N
分子式: C30H37N3O6
平均分子量: 535.6 g/mol
单同位素质量: 535.26823591

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 118 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 5
重原子: 39
形式电荷: 0
复杂度: 957

ALIASES

名称与别名

共 3 条

SCHEMBL3566892VRKCKWLSJXJKQS-UHFFFAOYSA-N17-[2-ethoxy-8-methylquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid

REACTIONS

参与反应

4 条

uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08637663B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08637663B2

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uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09365582B2

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uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09365582B2

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