TL;DR: 1-acetyl-2-isopropyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile (CAS 1005054-68-1) is a chemical compound with molecular formula C19H19N3O and molecular weight 305.1528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-acetyl-2-propan-2-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: BAS 06901274, AM-807/41928960, 1-Acetyl-1,2-dihydro-2-(1-methylethyl)pyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, 1-acetyl-2-isopropyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, 1-acetyl-2-propan-2-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
| Molecular Formula | C19H19N3O |
| Molecular Weight | 305.1528 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.1528 Da |
| Heavy Atoms | 23 |
| Complexity | 615.0 |
| SMILES | CC(C)C1C(N2C(C1(C#N)C#N)C=CC3=CC=CC=C32)C(=O)C |
| InChIKey | HKIHEEQDLLDBIF-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1-acetyl-2-isopropyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-acetyl-2-isopropyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile. Following Lipinski's Rule of Five, 1-acetyl-2-isopropyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-acetyl-2-isopropyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is 1005054-68-1.
The molecular formula of 1-acetyl-2-isopropyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is C19H19N3O.
The molecular weight of 1-acetyl-2-isopropyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is 305.1528 g/mol.
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