3-cyano-3,4-dihydroquinoline-2(1H)-one
TL;DR: 3-cyano-3,4-dihydroquinoline-2(1H)-one (CAS 106073-17-0) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrile
Also Known As: Compound 84-182, 3-Cyano-3,4-dihydroquinoline-2(1H)-one, 2-oxo-1,2,3,4-tetrahydroquinoline-3-carbonitrile, Compd.84-182, 2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrile
Technical Specifications
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.06366 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.06366 Da |
| Heavy Atoms | 13 |
| Complexity | 265.0 |
| SMILES | C1C(C(=O)NC2=CC=CC=C21)C#N |
| InChIKey | VKKXUYMZWXMMJH-UHFFFAOYSA-N |
Chemical Property Profile of 3-cyano-3,4-dihydroquinoline-2(1H)-one
Property Insights of 3-cyano-3,4-dihydroquinoline-2(1H)-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-cyano-3,4-dihydroquinoline-2(1H)-one. With a topological polar surface area (TPSA) of 52.9 Ų, 3-cyano-3,4-dihydroquinoline-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-cyano-3,4-dihydroquinoline-2(1H)-one 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 3-cyano-3,4-dihydroquinoline-2(1H)-one?
The CAS number of 3-cyano-3,4-dihydroquinoline-2(1H)-one is 106073-17-0.
What is the molecular formula of 3-cyano-3,4-dihydroquinoline-2(1H)-one?
The molecular formula of 3-cyano-3,4-dihydroquinoline-2(1H)-one is C10H8N2O.
What is the molecular weight of 3-cyano-3,4-dihydroquinoline-2(1H)-one?
The molecular weight of 3-cyano-3,4-dihydroquinoline-2(1H)-one is 172.06366 g/mol.
Where can I buy 3-cyano-3,4-dihydroquinoline-2(1H)-one?
You can request a quote for 3-cyano-3,4-dihydroquinoline-2(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-cyano-3,4-dihydroquinoline-2(1H)-one?
Yes, CoreyChem provides custom synthesis services for 3-cyano-3,4-dihydroquinoline-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.