RVI
Summary
| Name: | (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide |
| Synonyms: | 2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide |
| Formula: | C29 H37 N3 O |
| Formal charge: | 0 |
| Formula weight: | 443.624 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide |
| OpenEye OEToolkits | 1.7.2 | (2R)-2-[[2-azanyl-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC1CCCCC1)C(CCC)Cc2cc3cc(ccc3nc2N)c4ccccc4C |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC[C@H](Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4CCCCC4 |
| SMILES | CACTVS | 3.370 | CCC[CH](Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCC[C@H](Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4CCCCC4 |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCCC(Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4CCCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C29H37N3O/c1-3-9-23(29(33)31-19-21-11-5-4-6-12-21)17-25-18-24-16-22(14-15-27(24)32-28(25)30)26-13-8-7-10-20(26)2/h7-8,10,13-16,18,21,23H,3-6,9,11-12,17,19H2,1-2H3,(H2,30,32)(H,31,33)/t23-/m1/s1 |
| InChIKey | InChI | 1.03 | KSRGIPYZQZCBMH-HSZRJFAPSA-N |
