TXW
Summary
| Name: | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one |
| Formula: | C12 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 202.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 5-methyl-7-propyl-1H-1,6-naphthyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C=Cc1c(nc(cc1N2)CCC)C |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O/c1-3-4-9-7-11-10(8(2)13-9)5-6-12(15)14-11/h5-7H,3-4H2,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.03 | GNDSCMXBXGHCIV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1cc2NC(=O)C=Cc2c(C)n1 |
| SMILES | CACTVS | 3.385 | CCCc1cc2NC(=O)C=Cc2c(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCc1cc2c(c(n1)C)C=CC(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCc1cc2c(c(n1)C)C=CC(=O)N2 |
