1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile
TL;DR: 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile (CAS 191978-93-5) is a chemical compound with molecular formula C16H11N3O and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile
Also Known As: 1-Isonicotinoyl-1,2-dihydroquinoline-2-carbonitrile, 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile, 1-(4-Pyridylcarbonyl)-1,2-dihydroquinoline-2-carbonitrile, 1-(pyridin-4-ylcarbonyl)-1,2-dihydroquinoline-2-carbonitrile
| Molecular Formula | C16H11N3O |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.0902 |
| Heavy Atoms | 20 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 191978-93-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(N2C(=O)C3=CC=NC=C3)C#N |
| InChIKey | VCVYNNDEXAJIRQ-UHFFFAOYSA-N |
Product Overview
1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile (CAS 191978-93-5), with molecular formula C16H11N3O and molecular weight 261.09 g/mol. IUPAC: 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile.
Chemical Property Profile of 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile
Property Insights of 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile. With a topological polar surface area (TPSA) of 57.0 Ų, 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile 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
Frequently Asked Questions
What is the CAS number of 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile?
The CAS number of 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile is 191978-93-5.
What is the molecular formula of 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile?
The molecular formula of 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile is C16H11N3O.
What is the molecular weight of 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile?
The molecular weight of 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile is 261.09 g/mol.
Where can I buy 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile?
You can request a quote for 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.