HCID1090305

Ethyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazine-1-carboxylate

C17H21N3O3315.37 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIKey: GCFVBBMPZROJOD-UHFFFAOYSA-N
分子式: C17H21N3O3
平均分子量: 315.37 g/mol
单同位素质量: 315.15829154

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 65.9 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 4
重原子: 23
形式电荷: 0
复杂度: 399

PROPERTIES

实验与物化性质

Solubility

34.3 [ug/mL] (The mean of the results at pH 7.4)

ALIASES

名称与别名

共 21 条

MLS000715648SMR000277165BAS 07529517SCHEMBL113821CHEMBL1505060BDBM34860cid_1090305GCFVBBMPZROJOD-UHFFFAOYSA-NHMS2627N23ethyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazine-1-carboxylateAKOS002307685ST50325350SR-01000364698SR-01000364698-15-(4-ethoxycarbonylpiperazinomethy)-8-hydroxyquinolineethyl 4-[(8-hydroxy-5-quinolyl)methyl]piperazinecarboxylateethyl 4-[(8-hydroxy-5-quinolyl)methyl]piperazine-1-carboxylateethyl 4-(8-hydroxyquinolin-5-ylmethyl)-1-piperazine carboxylateethyl 4-[(8-oxidanylquinolin-5-yl)methyl]piperazine-1-carboxylate4-[(8-hydroxy-5-quinolinyl)methyl]-1-piperazinecarboxylic acid ethyl ester

REACTIONS

相关反应

4 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855711B1

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08058442B2

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

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uspto-grants-2014_04 · 10.6084/m9.figshare.5104873.v1 · US08685955B2

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