MZX
Summary
| Name: | 5,8-dimethoxy-4-methylquinolin-2(1H)-one |
| Formula: | C12 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 219.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5,8-dimethoxy-4-methylquinolin-2(1H)-one |
| OpenEye OEToolkits | 1.7.0 | 5,8-dimethoxy-4-methyl-1H-quinolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C=C(c1c(OC)ccc(OC)c1N2)C |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(OC)c2C(=CC(=O)Nc12)C |
| SMILES | CACTVS | 3.370 | COc1ccc(OC)c2C(=CC(=O)Nc12)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1=CC(=O)Nc2c1c(ccc2OC)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1=CC(=O)Nc2c1c(ccc2OC)OC |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO3/c1-7-6-10(14)13-12-9(16-3)5-4-8(15-2)11(7)12/h4-6H,1-3H3,(H,13,14) |
| InChIKey | InChI | 1.03 | BUHDAIGNGIXQJO-UHFFFAOYSA-N |
