![4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile structure](/static/products/540/540512-77-4.png)
4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile
TL;DR: 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile (CAS 540512-77-4) is a chemical compound with molecular formula C18H11N5O3 and molecular weight 345.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(7-methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile
Also Known As: 4-((7-methoxyquinolin-3-yl)amino)-5-nitrophthalonitrile, 4-[(7-methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile, 5-[(7-methoxy(3-quinolyl))amino]-4-nitrobenzene-1,2-dicarbonitrile, 2-CYANO-4-[(7-METHOXY-3-QUINOLYL)AMINO]-5-NITROPHENYL CYANIDE
| Molecular Formula | C18H11N5O3 |
|---|---|
| Molecular Weight | 345.09 g/mol |
| LogP | 3.63856 |
| Topological Polar Surface Area | 124.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.08618 |
| Heavy Atoms | 26 |
| Complexity | 1112.2352 |
Chemical Identifiers
| CAS Number | 540512-77-4 |
|---|---|
| SMILES | COC1=CC2=NC=C(C=C2C=C1)NC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-] |
Product Overview
4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile (CAS 540512-77-4), with molecular formula C18H11N5O3 and molecular weight 345.09 g/mol. IUPAC: 4-[(7-methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile
Property Insights of 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile
The XLogP value of 3.63856 indicates that 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile has 1 hydrogen bond donor(s) and 7 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-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile?
The CAS number of 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile is 540512-77-4.
What is the molecular formula of 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile?
The molecular formula of 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile is C18H11N5O3.
What is the molecular weight of 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile?
The molecular weight of 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile is 345.09 g/mol.
Where can I buy 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile?
You can request a quote for 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(7-Methoxyquinolin-3-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.