2JK
Summary
| Name: | 4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid |
| Formula: | C12 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 217.221 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 5,7-dimethyl-4-oxidanyl-quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1nc2cc(cc(c2c(O)c1)C)C |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO3/c1-6-3-7(2)11-8(4-6)13-9(12(15)16)5-10(11)14/h3-5H,1-2H3,(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.03 | JLHAMAZZACUPTQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)c2c(O)cc(nc2c1)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1cc(C)c2c(O)cc(nc2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(c2c(c1)nc(cc2O)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c2c(c1)nc(cc2O)C(=O)O)C |
