68M
Summary
| Name: | (2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide |
| Formula: | C25 H32 N4 O |
| Formal charge: | 0 |
| Formula weight: | 404.548 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide |
| OpenEye OEToolkits | 2.0.4 | (2~{R})-3-[2-azanyl-6-(3-methylpyridin-2-yl)quinolin-3-yl]-~{N}-(3,3-dimethylbutyl)-2-methyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(C)CCNC(=O)C(C)Cc1cc2cc(ccc2nc1N)c3c(cccn3)C |
| InChI | InChI | 1.03 | InChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | ZVOWIRUWKAUSAB-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Cc1cc2cc(ccc2nc1N)c3ncccc3C)C(=O)NCCC(C)(C)C |
| SMILES | CACTVS | 3.385 | C[CH](Cc1cc2cc(ccc2nc1N)c3ncccc3C)C(=O)NCCC(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cccnc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)NCCC(C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cccnc1c2ccc3c(c2)cc(c(n3)N)CC(C)C(=O)NCCC(C)(C)C |
