DTQ
Summary
| Name: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE |
| Formula: | C16 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 297.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol |
| OpenEye OEToolkits | 1.5.0 | 3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c1c(cc(OC)c(OC)c1)c(nc2)Nc3cccc(O)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC |
| SMILES | CACTVS | 3.341 | COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O |
| InChI | InChI | 1.03 | InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19) |
| InChIKey | InChI | 1.03 | BNDYIYYKEIXHNK-UHFFFAOYSA-N |
