HCID9998751

3-Hexanoyl-4-(2-methylphenylamino)-8-methoxyquinoline

1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]hexan-1-one

C23H26N2O2362.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
InChIKey: BBRYCNFEODUCHO-UHFFFAOYSA-N
分子式: C23H26N2O2
平均分子量: 362.5 g/mol
单同位素质量: 362.19942808

COMPUTED

结构计算性质

已同步

XLogP: 6.2
极性表面积: 51.2 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 8
重原子: 27
形式电荷: 0
复杂度: 469

ALIASES

名称与别名

共 6 条

CHEMBL115195SCHEMBL9653867BBRYCNFEODUCHO-UHFFFAOYSA-NBDBM500012303-hexanoyl-4-(2-methylphenylamino)-8-methoxyquinoline1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-hexan-1-one

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-1989_02 · 10.6084/m9.figshare.5104873.v1 · US04806549

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uspto-grants-1989_02 · 10.6084/m9.figshare.5104873.v1 · US04806550

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