4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one
TL;DR: 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one (CAS 433309-56-9) is a chemical compound with molecular formula C21H23N3O5 and molecular weight 397.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-ethyl-3-nitroquinolin-2-one
Also Known As: 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one, 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-ethyl-3-nitroquinolin-2-one, 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-ethyl-3-nitro-1,2-dihydroquinolin-2-one, 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-ethyl-3-nitro-2(1H)-quinolinone, 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-ethyl-3-nitrohydroquinolin-2-one
| Molecular Formula | C21H23N3O5 |
|---|---|
| Molecular Weight | 397.16 g/mol |
| LogP | 3.6014 |
| Topological Polar Surface Area | 95.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.16376 |
| Heavy Atoms | 29 |
| Complexity | 1107.4022 |
Chemical Identifiers
| CAS Number | 433309-56-9 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC |
Product Overview
4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one (CAS 433309-56-9), with molecular formula C21H23N3O5 and molecular weight 397.16 g/mol. IUPAC: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-ethyl-3-nitroquinolin-2-one.
Chemical Property Profile of 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one
Property Insights of 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one
The XLogP value of 3.6014 indicates that 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one. Following Lipinski's Rule of Five, 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one has 1 hydrogen bond donor(s) and 6 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-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one?
The CAS number of 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one is 433309-56-9.
What is the molecular formula of 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one?
The molecular formula of 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one is C21H23N3O5.
What is the molecular weight of 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one?
The molecular weight of 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one is 397.16 g/mol.
Where can I buy 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one?
You can request a quote for 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((3,4-dimethoxyphenethyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.