Quinoxaline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-4-[2-(1-piperidinyl)ethyl]- | 5739-95-7
Quinoxaline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-4-[2-(1-piperidinyl)ethyl]-
5739-95-7
C18H29N3O2
245.2771
名称和标识符
InChIKey |
GRCBYCDNGBXOKU-UHFFFAOYSA-N |
Inchi |
InChI=1S/C13H15N3O2/c1-8-4-5-10(6-9(8)2)14-11-7-12(17)16(3)13(18)15-11/h4-7,14H,1-3H3,(H,15,18) |
SMILES |
CC1=C(C=C(C=C1)NC2=CC(=O)N(C(=O)N2)C)C |
别名信息
- 英文别名 -
- Quinoxaline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-4-[2-(1-piperidinyl)ethyl]-
- 2,4(1H,3H)-pyrimidinedione, 6-[(3,4-dimethylphenyl)amino]-3-methyl-
- DTXSID30354629
- 6-((3,4-Dimethylphenyl)amino)-3-methylpyrimidine-2,4(1H,3H)-dione
- SMR000515342
- Oprea1_567896
- EU-0038146
- 6-(3,4-Dimethyl-phenylamino)-3-methyl-1H-pyrimidine-2,4-dione
- BIM-0030816.P001
- 59776-24-8
- 6-[(3,4-dimethylphenyl)amino]-3-methyl-2,4(1H,3H)-pyrimidinedione
- MLS001209837
- 5739-95-7
- 6-(3,4-dimethylanilino)-3-methyl-1H-pyrimidine-2,4-dione
- 6-[(3,4-dimethylphenyl)amino]-3-methylpyrimidine-2,4(1H,3H)-dione
- STK068961
- Oprea1_610493
- CBMicro_030774
- AKOS005389316
- CHEMBL2141545
物化性质
实验特性
计算特性
精确分子量 |
245.11655 |
氢键供体数量 |
2 |
氢键受体数量 |
3 |
可旋转化学键数量 |
2 |
同位素质量 |
245.116426730g/mol |
重原子数量 |
18 |
复杂度 |
392 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
1.7 |
拓扑分子极性表面积 |
61.4Ų |