4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile
TL;DR: 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile (CAS 150617-68-8) is a chemical compound with molecular formula C11H7ClN2O and molecular weight 218.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-methyl-2-oxoquinoline-3-carbonitrile
Also Known As: 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile, 4-chloro-1-methyl-2-oxoquinoline-3-carbonitrile, 3-Quinolinecarbonitrile, 4-chloro-1,2-dihydro-1-methyl-2-oxo-, 4-chloro-1-methyl-2-oxo-quinoline-3-carbonitrile, 4-Chloro-1,2-dihydro-1-methyl-2-oxo-3-quinolinecarbonitrile
| Molecular Formula | C11H7ClN2O |
|---|---|
| Molecular Weight | 218.02 g/mol |
| LogP | 2.06358 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.02469 |
| Heavy Atoms | 15 |
| Complexity | 637.3036 |
Chemical Identifiers
| CAS Number | 150617-68-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C(C1=O)C#N)Cl |
Product Overview
4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile (CAS 150617-68-8), with molecular formula C11H7ClN2O and molecular weight 218.02 g/mol. IUPAC: 4-chloro-1-methyl-2-oxoquinoline-3-carbonitrile.
Chemical Property Profile of 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile
Property Insights of 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile
The XLogP value of 2.06358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile. With a topological polar surface area (TPSA) of 45.79 Ų, 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile?
The CAS number of 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile is 150617-68-8.
What is the molecular formula of 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile?
The molecular formula of 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile is C11H7ClN2O.
What is the molecular weight of 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile?
The molecular weight of 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile is 218.02 g/mol.
Where can I buy 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile?
You can request a quote for 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.