9P4
概要
| 表記: | 7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine |
| 組成式: | C18 H19 F N4 |
| 電荷: | 0 |
| 化学式量: | 310.369 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine |
| OpenEye OEToolkits | 2.0.6 | 7-[[3-(5-fluoranylpyridin-3-yl)propylamino]methyl]quinolin-2-amine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Fc1cncc(c1)CCCNCc2cc3nc(ccc3cc2)N |
| InChI | InChI | 1.03 | InChI=1S/C18H19FN4/c19-16-8-13(11-22-12-16)2-1-7-21-10-14-3-4-15-5-6-18(20)23-17(15)9-14/h3-6,8-9,11-12,21H,1-2,7,10H2,(H2,20,23) |
| InChIKey | InChI | 1.03 | GIUCGMWNASMMOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2ccc(CNCCCc3cncc(F)c3)cc2n1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2ccc(CNCCCc3cncc(F)c3)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F |
