HCID59321540

Methyl 6-(4-hydroxyphenyl)-2-quinolinecarboxylate

methyl 6-(4-hydroxyphenyl)quinoline-2-carboxylate

C17H13NO3279.29 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc2cc(-c3ccc(O)cc3)ccc2n1
InChIKey: CUULZHWFVHDRCL-UHFFFAOYSA-N
分子式: C17H13NO3
平均分子量: 279.29 g/mol
单同位素质量: 279.08954328

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 59.4 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 21
形式电荷: 0
复杂度: 365

ALIASES

名称与别名

共 3 条

SCHEMBL2002585CUULZHWFVHDRCL-UHFFFAOYSA-Nmethyl 6-(4-hydroxyphenyl)-2-quinolinecarboxylate

REACTIONS

参与反应

24 条

HRID 104268 反应方程式

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

HRID 135947 反应方程式

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

HRID 211552 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

HRID 312225 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

HRID 313046 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

HRID 693406 反应方程式

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

HRID 701032 反应方程式

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

HRID 826868 反应方程式

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