2QV
Summary
| Name: | 6-(3-chlorophenyl)quinazolin-4-amine |
| Formula: | C14 H10 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 255.702 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(3-chlorophenyl)quinazolin-4-amine |
| OpenEye OEToolkits | 1.7.6 | 6-(3-chlorophenyl)quinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc3cccc(c2cc1c(ncnc1N)cc2)c3 |
| InChI | InChI | 1.03 | InChI=1S/C14H10ClN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18) |
| InChIKey | InChI | 1.03 | NFVSMRPXCHVTAG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2ccc(cc12)c3cccc(Cl)c3 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2ccc(cc12)c3cccc(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)c2ccc3c(c2)c(ncn3)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)c2ccc3c(c2)c(ncn3)N |
