1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one
TL;DR: 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one (CAS 79966-20-4) is a chemical compound with molecular formula C15H18N4O3 and molecular weight 302.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one
Also Known As: BAS 01256854, BIM-0029105.P001, 1-methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one, 1-methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2(1H)-one, 1-methyl-4-(4-methylpiperazinyl)-3-nitrohydroquinolin-2-one
| Molecular Formula | C15H18N4O3 |
|---|---|
| Molecular Weight | 302.14 g/mol |
| LogP | 1.1985 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.13788 |
| Heavy Atoms | 22 |
| Complexity | 791.20953 |
Chemical Identifiers
| CAS Number | 79966-20-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C)[N+](=O)[O-] |
Product Overview
1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one (CAS 79966-20-4), with molecular formula C15H18N4O3 and molecular weight 302.14 g/mol. IUPAC: 1-methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one.
Chemical Property Profile of 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one
Property Insights of 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one
The XLogP value of 1.1985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one. Following Lipinski's Rule of Five, 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one has 0 hydrogen bond donor(s) and 5 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-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one?
The CAS number of 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one is 79966-20-4.
What is the molecular formula of 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one?
The molecular formula of 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one is C15H18N4O3.
What is the molecular weight of 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one?
The molecular weight of 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one is 302.14 g/mol.
Where can I buy 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one?
You can request a quote for 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.