HCID67459078

[8-Chloro-4-methyl-2-oxo-3-(4-pyrazol-1-ylbenzyl)-1,2-dihydroquinolin-5-yloxy]acetic acid methyl ester

methyl 2-[[8-chloro-4-methyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-5-yl]oxy]acetate

C23H20ClN3O4437.9 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)COc1ccc(Cl)c2[nH]c(=O)c(Cc3ccc(-n4cccn4)cc3)c(C)c12
InChIKey: XYWZQLNSJMKBNJ-UHFFFAOYSA-N
分子式: C23H20ClN3O4
平均分子量: 437.9 g/mol
单同位素质量: 437.1142338

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 82.5 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 7
重原子: 31
形式电荷: 0
复杂度: 707

ALIASES

名称与别名

共 3 条

SCHEMBL2576335XYWZQLNSJMKBNJ-UHFFFAOYSA-N[8-chloro-4-methyl-2-oxo-3-(4-pyrazol-1-ylbenzyl)-1,2-dihydroquinolin-5-yloxy]acetic acid methyl ester

REACTIONS

参与反应

6 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

HRID168918

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID693127

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

作为反应物

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

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HRID1922096

uspto-grants-2012_05

作为反应物

uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08173812B2

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HRID1922102

uspto-grants-2012_05

作为反应物

uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08173812B2

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HRID1944308

uspto-grants-2013_03

作为反应物

uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08394830B2

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HRID1944314

uspto-grants-2013_03

作为反应物

uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08394830B2

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