8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 14442-55-8) is a chemical compound with molecular formula C17H16N2O and molecular weight 264.12625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-benzyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: 8-benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile, 8-Benzyl-3-cyan-5,6,7,8-tetrahydro-chinolon-(2), 8-benzyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 8-benzyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitril, 3-Quinolinecarbonitrile,1,2,5,6,7,8-hexahydro-2-oxo-8-(phenylmethyl)-
Technical Specifications
| Molecular Formula | C17H16N2O |
| Molecular Weight | 264.12625 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.12625 Da |
| Heavy Atoms | 20 |
| Complexity | 514.0 |
| SMILES | C1CC(C2=C(C1)C=C(C(=O)N2)C#N)CC3=CC=CC=C3 |
| InChIKey | WLIIXTISFOWIEO-UHFFFAOYSA-N |
Chemical Property Profile of 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile. With a topological polar surface area (TPSA) of 52.9 Ų, 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is 14442-55-8.
What is the molecular formula of 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is C17H16N2O.
What is the molecular weight of 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is 264.12625 g/mol.
Where can I buy 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.