GNY
Summary
| Name: | 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid |
| Formula: | C13 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 231.247 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 4-oxidanyl-8-propan-2-yl-quinoline-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(c(c1c(c(C(C)C)ccc1)n2)O)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO3/c1-7(2)8-4-3-5-9-11(8)14-6-10(12(9)15)13(16)17/h3-7H,1-2H3,(H,14,15)(H,16,17) |
| InChIKey | InChI | 1.03 | KGDOGYITTVCUJA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cccc2c(O)c(cnc12)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)c1cccc2c(O)c(cnc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1cccc2c1ncc(c2O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1cccc2c1ncc(c2O)C(=O)O |
