3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile
TL;DR: 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile (CAS 100142-36-7) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-oxo-2,3-dihydroquinolin-1-yl)propanenitrile
Also Known As: 3-(4-oxo-2,3-dihydroquinolin-1-yl)propanenitrile, 3-(4-oxo-3,4-dihydro-2H-[1]quinolyl)-propionitrile, 3-(4-oxo-3,4-dihydroquinolin-1(2h)-yl)propanenitrile
Technical Specifications
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.09496 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.09496 Da |
| Heavy Atoms | 15 |
| Complexity | 291.0 |
| SMILES | C1CN(C2=CC=CC=C2C1=O)CCC#N |
| InChIKey | GGVGIYQJERUJHT-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile
Property Insights of 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile has 0 hydrogen bond donor(s) and 3 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-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile?
The CAS number of 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile is 100142-36-7.
What is the molecular formula of 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile?
The molecular formula of 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile is C12H12N2O.
What is the molecular weight of 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile?
The molecular weight of 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile is 200.09496 g/mol.
Where can I buy 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile?
You can request a quote for 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(4-Oxo-2,3-dihydroquinolin-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.