结构:COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1O
HCID10804576

(7-Hydroxy-6-methoxy-4-oxoquinazolin-3(4H)-yl)methyl pivalate

(7-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate

C15H18N2O5306.31 g/mol

IDENTITY

结构与身份

标准 SMILES
COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1O
InChIKey
NZXRRNLMXLRCAF-UHFFFAOYSA-N
分子式
C15H18N2O5
平均分子量
306.31 g/mol
单同位素质量
306.12157168

COMPUTED

结构计算性质

已同步
XLogP
1.9
极性表面积
88.4 Ų
氢键供体
1
氢键受体
6
可旋转键
5
重原子
22
形式电荷
0
复杂度
471

ALIASES

名称与别名

16
(7-Hydroxy-6-methoxy-4-oxoquinazolin-3(4H)-yl)methyl pivalate193002-25-4(7-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate7-hydroxy-6-methoxy-3-((pivaloyloxy)methyl)-3,4-dihydroquinazolin-4-one(7-hydroxy-6-methoxy-4-oxo-3,4-dihydroquinazolin-3-yl)methyl 2,2-dimethylpropanoateSCHEMBL666304NZXRRNLMXLRCAF-UHFFFAOYSA-NDB-2967777-hydroxy-6-methoxy-3-pivaloyloxymethyl-3,4-dihydroquinazolin-4-one7-hydroxy-6-methoxy-3-pivaloyloxymethyl-3,4-dihydroquinazolin4-one7- hydroxy-6-methoxy-3-((pivaloyloxy)methyl)-3,4-dihydroquinazolin-4-one7-hydroxy-3,4-dihydro-6-methoxy-3-((pivaloyloxy)methyl)quinazolin-4-one7-hydroxy-6-methoxy-3((pivaloyloxy)methyl)-3,4-dihydroquinazolin-4-one7-hydroxy-6-methoxy-3-((pivaloyloxy)methyl)-3,4-dihydroquinazolin-4-one-7-hydroxy-6-methoxy-3-((pivaloyloxy)methyl)-3,4-dihydroquinazolin4-one7-hydroxy-6-methoxy-3-(pivaloyloxymethyl)-3,4-dihydroquinazolin-4-one

REACTIONS

参与反应

75
HRID93170

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

作为反应物
HRID 93170 方程式

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

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HRID147977

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

作为反应物
HRID 147977 方程式

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

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HRID149914

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

作为反应物
HRID 149914 方程式

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

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HRID168673

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

作为反应物
HRID 168673 方程式

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

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HRID185073

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

作为反应物
HRID 185073 方程式

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

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HRID209150

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

作为反应物
HRID 209150 方程式

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

查看条件与参与物