V4Y
Summary
| Name: | 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
| Formula: | C25 H27 N5 O |
| Formal charge: | 0 |
| Formula weight: | 413.515 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 7-[[3-[[3-(6-azanylpyridin-2-yl)propylamino]methyl]phenoxy]methyl]quinolin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(nc(ccc1)CCCNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N |
| InChI | InChI | 1.03 | InChI=1S/C25H27N5O/c26-24-8-2-5-21(29-24)6-3-13-28-16-18-4-1-7-22(14-18)31-17-19-9-10-20-11-12-25(27)30-23(20)15-19/h1-2,4-5,7-12,14-15,28H,3,6,13,16-17H2,(H2,26,29)(H2,27,30) |
| InChIKey | InChI | 1.03 | YWEAUSOYABUBID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(CCCNCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1 |
| SMILES | CACTVS | 3.385 | Nc1cccc(CCCNCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCc4cccc(n4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCc4cccc(n4)N |
