AC1NR7QI
(1S,2S,3aR)-2-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: A1285/0058618|(1S,2S,3aR)-2-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile|(1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(3-bromophenyl)-10,3a-dihydropyrrolidi no[1,2-a]quinoline-3,3-dicarbonitrile|(1S,2S,3aR)-2-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile|(1S,2S,3aR)-2-(3-bromophenyl)-1-pivaloyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C25H22BrN3O |
|---|---|
| Molecular Weight | 459.09464 g/mol |
| LogP | 5.46566 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 459.09464 |
| Monoisotopic Mass | 459.09464 |
| Heavy Atoms | 30 |
| Complexity | 1118.0583 |
Chemical Identifiers
| CAS Number | 294635-00-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC(=CC=C4)Br |
Product Overview
AC1NR7QI (CAS 294635-00-0), with molecular formula C25H22BrN3O and molecular weight 459.09464 g/mol. IUPAC: (1S,2S,3aR)-2-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.