3RU
Summary
| Name: | 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide |
| Formula: | C19 H25 N3 O |
| Formal charge: | 0 |
| Formula weight: | 311.421 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide |
| OpenEye OEToolkits | 1.7.2 | 3-(2-azanylquinolin-3-yl)-N-(cyclohexylmethyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC1CCCCC1)CCc2cc3ccccc3nc2N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc2ccccc2cc1CCC(=O)NCC3CCCCC3 |
| SMILES | CACTVS | 3.370 | Nc1nc2ccccc2cc1CCC(=O)NCC3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)cc(c(n2)N)CCC(=O)NCC3CCCCC3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)cc(c(n2)N)CCC(=O)NCC3CCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C19H25N3O/c20-19-16(12-15-8-4-5-9-17(15)22-19)10-11-18(23)21-13-14-6-2-1-3-7-14/h4-5,8-9,12,14H,1-3,6-7,10-11,13H2,(H2,20,22)(H,21,23) |
| InChIKey | InChI | 1.03 | YOUIXYWUUXULRM-UHFFFAOYSA-N |
