ChemDiv1_024822
(1S,2R,3aR)-1-acetyl-2-(2-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv1_024822|HMS657I06|AG-205/33141060|(1S,2R,3aR)-1-acetyl-2-(2-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile|SR-01000507241-1|1-acetyl-2-(2-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile|A0038/0001576|(1S,2R,3aR)-1-acetyl-2-(2-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile|1-ACETYL-2-(2-FLUOROPHENYL)-1H,2H,3H,3AH-PYRROLO[1,2-A]QUINOLINE-3,3-DICARBONITRILE
| Molecular Formula | C22H16FN3O |
|---|---|
| Molecular Weight | 357.12775 g/mol |
| LogP | 3.81606 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.12775 |
| Monoisotopic Mass | 357.12775 |
| Heavy Atoms | 27 |
| Complexity | 1032.0088 |
Chemical Identifiers
| CAS Number | 293293-82-0 |
|---|---|
| SMILES | CC(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=CC=C4F |
Product Overview
ChemDiv1_024822 (CAS 293293-82-0), with molecular formula C22H16FN3O and molecular weight 357.12775 g/mol. IUPAC: (1S,2R,3aR)-1-acetyl-2-(2-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.