A1BXI
Summary
| Name: | 2-[(2,8-dimethylquinolin-4-yl)oxy]acetamide |
| Formula: | C13 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 230.262 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-[(2,8-dimethylquinolin-4-yl)oxy]acetamide |
| OpenEye OEToolkits | 3.1.0.0 | 2-(2,8-dimethylquinolin-4-yl)oxyethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)COc1cc(C)nc2c(C)cccc12 |
| InChI | InChI | 1.06 | InChI=1S/C13H14N2O2/c1-8-4-3-5-10-11(17-7-12(14)16)6-9(2)15-13(8)10/h3-6H,7H2,1-2H3,(H2,14,16) |
| InChIKey | InChI | 1.06 | DHSQEZOXPZSKGH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(OCC(N)=O)c2cccc(C)c2n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(OCC(N)=O)c2cccc(C)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc2c1nc(cc2OCC(=O)N)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc2c1nc(cc2OCC(=O)N)C |
