4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one
TL;DR: 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one (CAS 850189-09-2) is a chemical compound with molecular formula C17H14ClN3O3 and molecular weight 343.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chlorophenyl)methylamino]-1-methyl-3-nitroquinolin-2-one
Also Known As: VU0287518-3, 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one, 4-[(2-chlorophenyl)methylamino]-1-methyl-3-nitroquinolin-2-one, 4-{[(2-chlorophenyl)methyl]amino}-1-methyl-3-nitro-1,2-dihydroquinolin-2-one, 4-(2-Chloro-benzylamino)-1-methyl-3-nitro-1H-quinolin-2-one
| Molecular Formula | C17H14ClN3O3 |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 3.7122 |
| Topological Polar Surface Area | 77.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.07236 |
| Heavy Atoms | 24 |
| Complexity | 998.0276 |
Chemical Identifiers
| CAS Number | 850189-09-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC3=CC=CC=C3Cl |
Product Overview
4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one (CAS 850189-09-2), with molecular formula C17H14ClN3O3 and molecular weight 343.07 g/mol. IUPAC: 4-[(2-chlorophenyl)methylamino]-1-methyl-3-nitroquinolin-2-one.
Chemical Property Profile of 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one
Property Insights of 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one
The XLogP value of 3.7122 indicates that 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one. Following Lipinski's Rule of Five, 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one has 1 hydrogen bond donor(s) and 4 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-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
The CAS number of 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one is 850189-09-2.
What is the molecular formula of 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
The molecular formula of 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one is C17H14ClN3O3.
What is the molecular weight of 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
The molecular weight of 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one is 343.07 g/mol.
Where can I buy 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
You can request a quote for 4-((2-chlorobenzyl)amino)-1-methyl-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-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-chlorobenzyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.