Q17
Summary
| Name: | 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol |
| Formula: | C17 H18 N4 O |
| Formal charge: | 0 |
| Formula weight: | 294.351 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol |
| OpenEye OEToolkits | 1.7.2 | 2-[4-(3-azanylpropylamino)quinazolin-2-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1c(cccc1)c(nc2c3ccccc3O)NCCCN |
| InChI | InChI | 1.03 | InChI=1S/C17H18N4O/c18-10-5-11-19-16-12-6-1-3-8-14(12)20-17(21-16)13-7-2-4-9-15(13)22/h1-4,6-9,22H,5,10-11,18H2,(H,19,20,21) |
| InChIKey | InChI | 1.03 | VIQWLKJTZBWAFF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCCNc1nc(nc2ccccc12)c3ccccc3O |
| SMILES | CACTVS | 3.370 | NCCCNc1nc(nc2ccccc12)c3ccccc3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)c(nc(n2)c3ccccc3O)NCCCN |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)c(nc(n2)c3ccccc3O)NCCCN |
