XM5
Summary
| Name: | 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one |
| Formula: | C12 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 233.22 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one |
| OpenEye OEToolkits | 1.5.0 | 6-methoxy-9-methyl-[1,3]dioxolo[4,5-h]quinolin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C=C(OC)c3c(N1C)c2OCOc2cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | COC1=CC(=O)N(C)c2c3OCOc3ccc12 |
| SMILES | CACTVS | 3.341 | COC1=CC(=O)N(C)c2c3OCOc3ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1c2c(ccc3c2OCO3)C(=CC1=O)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1c2c(ccc3c2OCO3)C(=CC1=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3 |
| InChIKey | InChI | 1.03 | DPXXJCMMMXZVSW-UHFFFAOYSA-N |
