JXX
Summary
| Name: | 2-chloro-4-(morpholin-4-yl)quinazoline |
| Formula: | C12 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 249.696 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-4-(morpholin-4-yl)quinazoline |
| OpenEye OEToolkits | 2.0.7 | 4-(2-chloranylquinazolin-4-yl)morpholine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1nc(N2CCOCC2)c2ccccc2n1 |
| InChI | InChI | 1.03 | InChI=1S/C12H12ClN3O/c13-12-14-10-4-2-1-3-9(10)11(15-12)16-5-7-17-8-6-16/h1-4H,5-8H2 |
| InChIKey | InChI | 1.03 | NJBDGZVAZRMIFM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1nc2ccccc2c(n1)N3CCOCC3 |
| SMILES | CACTVS | 3.385 | Clc1nc2ccccc2c(n1)N3CCOCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(nc(n2)Cl)N3CCOCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(nc(n2)Cl)N3CCOCC3 |
