RGK
Summary
| Name: | 2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one |
| Formula: | C14 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 237.257 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-aminophenyl)quinazolin-4(3H)-one |
| OpenEye OEToolkits | 1.7.6 | 2-(4-aminophenyl)-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c3ccccc3N=C(c1ccc(N)cc1)N2 |
| InChI | InChI | 1.03 | InChI=1S/C14H11N3O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18) |
| InChIKey | InChI | 1.03 | PHQBXCTZDRMXMX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES | CACTVS | 3.370 | Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N |
