3-Quinolinecarboxylicacid,5-amino-7-[3-(aminomethyl)-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo- | 146981-08-0
3-Quinolinecarboxylicacid,5-amino-7-[3-(aminomethyl)-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-
146981-08-0
C20H25FN4O4
404.4353
名称和标识符
InChIKey |
BAVGQUDCYHKVFA-UHFFFAOYSA-N |
Inchi |
InChI=1S/C20H25FN4O4/c1-20(8-22)5-6-24(9-20)16-13(21)14(23)12-15(18(16)29-2)25(10-3-4-10)7-11(17(12)26)19(27)28/h7,10H,3-6,8-9,22-23H2,1-2H3,(H,27,28) |
SMILES |
NCC1(CCN(C2=C(F)C(N)=C3C(C(=CN(C4CC4)C3=C2OC)C(=O)O)=O)C1)C |
别名信息
- 英文别名 -
- 3-Quinolinecarboxylicacid,5-amino-7-[3-(aminomethyl)-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-
- 5-Amino-7-[3-(aminomethyl)-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
- 3-Quinolinecarboxylicacid,5-amino-7-[3-(aminomethyl)-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-
- 5-amino-7-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
- 5-Amino-7-(3-(aminomethyl)-3-methyl-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
- CHEMBL15224
- 3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-7-(3-aminomethyl)-3-methyl-1-pyrrolidinyl-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-
- 146981-08-0
- DTXSID10932989
- 5-Amino-7-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
物化性质
实验特性
计算特性
精确分子量 |
404.18615 |
氢键供体数量 |
3 |
氢键受体数量 |
9 |
可旋转化学键数量 |
5 |
同位素质量 |
404.18598345g/mol |
重原子数量 |
29 |
复杂度 |
729 |
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 |
1 |
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) |
-0.4 |
拓扑分子极性表面积 |
122Ų |
3-Quinolinecarboxylicacid,5-amino-7-[3-(aminomethyl)-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-推荐生产厂家