QNL
Summary
Name: | ~{N}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide |
Formula: | C16 H18 N2 O3 |
Formal charge: | 0 |
Formula weight: | 286.326 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | ~{N}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C16H18N2O3/c1-10(2)9-21-15-7-12(8-19)18-16-13(15)5-4-6-14(16)17-11(3)20/h4-8,10H,9H2,1-3H3,(H,17,20) |
InChIKey | InChI | 1.03 | BLUSXJLREUZROL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)COc1cc(C=O)nc2c(NC(C)=O)cccc12 |
SMILES | CACTVS | 3.385 | CC(C)COc1cc(C=O)nc2c(NC(C)=O)cccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)COc1cc(nc2c1cccc2NC(=O)C)C=O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)COc1cc(nc2c1cccc2NC(=O)C)C=O |