V5D
Summary
| Name: | 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
| Formula: | C26 H29 N5 O |
| Formal charge: | 0 |
| Formula weight: | 427.541 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 7-[[3-[[4-(6-azanylpyridin-2-yl)butylamino]methyl]phenoxy]methyl]quinolin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(N)cccc(n1)CCCCNCc2cc(ccc2)OCc4ccc3ccc(nc3c4)N |
| InChI | InChI | 1.03 | InChI=1S/C26H29N5O/c27-25-9-4-7-22(30-25)6-1-2-14-29-17-19-5-3-8-23(15-19)32-18-20-10-11-21-12-13-26(28)31-24(21)16-20/h3-5,7-13,15-16,29H,1-2,6,14,17-18H2,(H2,27,30)(H2,28,31) |
| InChIKey | InChI | 1.03 | QYKBESYQSCLLGR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(CCCCNCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1 |
| SMILES | CACTVS | 3.385 | Nc1cccc(CCCCNCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCCc4cccc(n4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCCc4cccc(n4)N |
