QOL
Summary
| Name: | 8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde |
| Formula: | C14 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 276.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H16N2O4/c15-12-3-1-2-11-13(20-8-9(5-17)6-18)4-10(7-19)16-14(11)12/h1-4,7,9,17-18H,5-6,8,15H2 |
| InChIKey | InChI | 1.03 | NIXSOOMVRIEUBY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc2c(OCC(CO)CO)cc(C=O)nc12 |
| SMILES | CACTVS | 3.385 | Nc1cccc2c(OCC(CO)CO)cc(C=O)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc(nc2c(c1)N)C=O)OCC(CO)CO |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc(nc2c(c1)N)C=O)OCC(CO)CO |
