RTN
Summary
| Name: | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide |
| Formula: | C25 H29 N3 O |
| Formal charge: | 0 |
| Formula weight: | 387.517 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide |
| OpenEye OEToolkits | 1.7.2 | 3-[2-azanyl-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1CCCCC1)CCc2cc3cc(ccc3nc2N)c4ccccc4C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccccc1c2ccc3nc(N)c(CCC(=O)NC4CCCCC4)cc3c2 |
| SMILES | CACTVS | 3.370 | Cc1ccccc1c2ccc3nc(N)c(CCC(=O)NC4CCCCC4)cc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NC4CCCCC4 |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NC4CCCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C25H29N3O/c1-17-7-5-6-10-22(17)18-11-13-23-20(15-18)16-19(25(26)28-23)12-14-24(29)27-21-8-3-2-4-9-21/h5-7,10-11,13,15-16,21H,2-4,8-9,12,14H2,1H3,(H2,26,28)(H,27,29) |
| InChIKey | InChI | 1.03 | JBOWUKRDBGMOJZ-UHFFFAOYSA-N |
