CAS: 61707-70-8
名称: dimethyl 4-oxo-1H-quinoline-2,3-dicarboxylate
SMILES:
COC(=O)C1=C(NC2=CC=CC=C2C1=O)C(=O)OC分子加工
分子式
C13H11NO5
分子量
261.23
精确质量
261.0637
XLogP
1.1
TPSA
85.46
氢键给体数
1
氢键受体数
5
可旋转键
2
重原子数
19
环数
2
芳香环
2
饱和环
0
脂环
0
立体中心
0
未定义立体
0
形式电荷
0
杂原子数
6
共价单元
1
sp3占比
0.154
摩尔折射率
67.25
补充信息
InChIKey: KKGVIMBVPGLRDQ-UHFFFAOYSA-N
同义词
61707-70-8SBB013081DTXSID60409454RefChem:379920DTXCID303603062,3-Quinolinedicarboxylic acid, 1,4-dihydro-4-oxo-, dimethyl esterdimethyl 4-oxo-1,4-dihydroquinoline-2,3-dicarboxylatedimethyl 4-oxo-1H-quinoline-2,3-dicarboxylate2,3-dimethyl 4-oxo-1,4-dihydroquinoline-2,3-dicarboxylateSCHEMBL8569494MFCD07801036STK785958AKOS005621252CS-0322810dimethyl 4-hydroxyquinoline-2,3dicarboxylatedimethyl 4-hydroxyquinoline-2,3-dicarboxylatedimethyl 4-oxo-1,4-dihydro-2,3-quinolinedicarboxylatemethyl 2-(methoxycarbonyl)-4-oxohydroquinoline-3-carboxylate
参与 4 个反应→