M42
Summary
| Name: | 6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one |
| Formula: | C11 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 203.194 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one |
| OpenEye OEToolkits | 1.7.0 | 6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=C(c3c(N1)c2OCOc2cc3)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=CC(=O)Nc2c3OCOc3ccc12 |
| SMILES | CACTVS | 3.370 | CC1=CC(=O)Nc2c3OCOc3ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1=CC(=O)Nc2c1ccc3c2OCO3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1=CC(=O)Nc2c1ccc3c2OCO3 |
| InChI | InChI | 1.03 | InChI=1S/C11H9NO3/c1-6-4-9(13)12-10-7(6)2-3-8-11(10)15-5-14-8/h2-4H,5H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | XCKXJOHJSMHNFE-UHFFFAOYSA-N |
