HCID44515980

8-(2-Chloro-5-methoxy-phenyl)-quinoxaline-5-carboxylic acid [3-(4-ethyl-piperazin-1-yl)-phenyl]-amide

8-(2-chloro-5-methoxyphenyl)-N-[3-(4-ethylpiperazin-1-yl)phenyl]quinoxaline-5-carboxamide

C28H28ClN5O2502 g/mol

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IDENTITY

结构与身份

标准SMILES: CCN1CCN(c2cccc(NC(=O)c3ccc(-c4cc(OC)ccc4Cl)c4nccnc34)c2)CC1
InChIKey: ZWZXESSOZGPGAG-UHFFFAOYSA-N
分子式: C28H28ClN5O2
平均分子量: 502 g/mol
单同位素质量: 501.1931528

COMPUTED

结构计算性质

已同步

XLogP: 4.6
极性表面积: 70.6 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 6
重原子: 36
形式电荷: 0
复杂度: 720

ALIASES

名称与别名

共 4 条

SCHEMBL1126083ZWZXESSOZGPGAG-UHFFFAOYSA-N8-(2-Chloro-5-methoxy-phenyl)-quinoxaline-5-carboxylic acid [3-(4-ethyl-piperazin-1-yl)-phenyl]-amide8-(2-Chloro-5-methoxy-phenyl)-quinoxaline-5-carboxylic acid [3-(4-ethylpiperazin-1-yl)-phenyl]-amide

REACTIONS

参与反应

19 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536175B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536175B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536175B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536175B2

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

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

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uspto-grants-2014_03 · 10.6084/m9.figshare.5104873.v1 · US08674099B2

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uspto-grants-2014_03 · 10.6084/m9.figshare.5104873.v1 · US08674099B2

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