HCID133603

3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione

ethyl 3-(2-chlorophenyl)-5,7-dimethyl-2,4-dioxo-1H-quinazoline-6-carboxylate

C19H17ClN2O4372.8 g/molCAS 81087-59-4

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1c(C)cc2[nH]c(=O)n(-c3ccccc3Cl)c(=O)c2c1C
InChIKey: OXCXKEZEDIDQSV-UHFFFAOYSA-N
分子式: C19H17ClN2O4
平均分子量: 372.8 g/mol
单同位素质量: 372.0876847

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 75.7 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 4
重原子: 26
形式电荷: 0
复杂度: 584

ALIASES

名称与别名

共 13 条

3-Cedqd81087-59-43-(2-Chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedioneRefChem:92181ethyl 3-(2-chlorophenyl)-5,7-dimethyl-2,4-dioxo-1H-quinazoline-6-carboxylateSCHEMBL11024247OXCXKEZEDIDQSV-UHFFFAOYSA-NDTXSID7010017633-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4-(1H,3H)-quinazolinedione3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H, 3H)-quinazolinedione3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4-(1H, 3H)-quinazolinedioneEthyl 3-(2-chlorophenyl)-2-hydroxy-5,7-dimethyl-4-oxo-3,4-dihydroquinazoline-6-carboxylate6-Quinazolinecarboxylic acid, 3-(2-chlorophenyl)-1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-, ethyl ester

REACTIONS

参与反应

6 条

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

查看

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

查看

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

查看

uspto-grants-1983_09 · 10.6084/m9.figshare.5104873.v1 · US04405623

查看

uspto-grants-1983_09 · 10.6084/m9.figshare.5104873.v1 · US04405623

查看

uspto-grants-1983_09 · 10.6084/m9.figshare.5104873.v1 · US04405623

查看