3-quinolinecarbonitrile 18
TL;DR: 3-quinolinecarbonitrile 18 (CAS 622368-91-6) is a chemical compound with molecular formula C25H26Cl2N4O3 and molecular weight 500.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile
Also Known As: 3-quinolinecarbonitrile 18, 4-phenylamino-3-quinolinecarbonitrile 2, J2.038.406I, 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile, 4-((2,4-Dichloro-5-methoxyphenyl)amino)-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinoline-3-carbonitrile
| Molecular Formula | C25H26Cl2N4O3 |
|---|---|
| Molecular Weight | 500.14 g/mol |
| LogP | 5.89468 |
| Topological Polar Surface Area | 79.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.13818 |
| Heavy Atoms | 34 |
| Complexity | 1237.2834 |
Chemical Identifiers
| CAS Number | 622368-91-6 |
|---|---|
| SMILES | CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC |
Product Overview
3-quinolinecarbonitrile 18 (CAS 622368-91-6), with molecular formula C25H26Cl2N4O3 and molecular weight 500.14 g/mol. IUPAC: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile.
Chemical Property Profile of 3-quinolinecarbonitrile 18
Property Insights of 3-quinolinecarbonitrile 18
The XLogP value of 5.89468 indicates that 3-quinolinecarbonitrile 18 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-quinolinecarbonitrile 18. Following Lipinski's Rule of Five, 3-quinolinecarbonitrile 18 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-quinolinecarbonitrile 18?
The CAS number of 3-quinolinecarbonitrile 18 is 622368-91-6.
What is the molecular formula of 3-quinolinecarbonitrile 18?
The molecular formula of 3-quinolinecarbonitrile 18 is C25H26Cl2N4O3.
What is the molecular weight of 3-quinolinecarbonitrile 18?
The molecular weight of 3-quinolinecarbonitrile 18 is 500.14 g/mol.
Where can I buy 3-quinolinecarbonitrile 18?
You can request a quote for 3-quinolinecarbonitrile 18 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-quinolinecarbonitrile 18?
Yes, KEHONG BIO provides custom synthesis services for 3-quinolinecarbonitrile 18 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.