HCID66810238

chloromethyl 7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2-oxo-3,4-dihydroquinoline-1(2H)-carboxylate

chloromethyl 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxylate

C25H28Cl3N3O4540.9 g/mol

查看相关反应登录后使用结构检索

IDENTITY

结构与身份

标准SMILES: O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1C(=O)OCCl
InChIKey: RDAFWUHXEAZTFQ-UHFFFAOYSA-N
分子式: C25H28Cl3N3O4
平均分子量: 540.9 g/mol
单同位素质量: 539.114539

COMPUTED

结构计算性质

已同步

XLogP: 5.7
极性表面积: 62.3 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 9
重原子: 35
形式电荷: 0
复杂度: 709

ALIASES

名称与别名

共 3 条

SCHEMBL825686RDAFWUHXEAZTFQ-UHFFFAOYSA-Nchloromethyl 7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2-oxo-3,4-dihydroquinoline-1(2H)-carboxylate

REACTIONS

参与反应

9 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID95992

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

HRID109305

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

HRID1518664

uspto-grants-2015_07

作为反应物

uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09072788B2

查看

HRID1518665

uspto-grants-2015_07

作为反应物

uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09072788B2

查看

HRID1518667

uspto-grants-2015_07

作为反应物

uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09072788B2

查看

HRID2046157

uspto-grants-2013_11

作为反应物

uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08592427B2

查看

HRID2046158

uspto-grants-2013_11

作为反应物

uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08592427B2

查看

HRID2046160

uspto-grants-2013_11

作为反应物

uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08592427B2

查看