4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one
TL;DR: 4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one (CAS 849920-87-2) is a chemical compound with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(2-methylpropylamino)-3-nitroquinolin-2-one
Also Known As: 4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one, 1-methyl-4-(2-methylpropylamino)-3-nitroquinolin-2-one, VU0605813-1, 1-methyl-4-[(2-methylpropyl)amino]-3-nitro-1,2-dihydroquinolin-2-one, F3226-3008
| Molecular Formula | C14H17N3O3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 2.5146 |
| Topological Polar Surface Area | 77.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.12698 |
| Heavy Atoms | 20 |
| Complexity | 719.4113 |
Chemical Identifiers
| CAS Number | 849920-87-2 |
|---|---|
| SMILES | CC(C)CNC1=C(C(=O)N(C2=CC=CC=C21)C)[N+](=O)[O-] |
Product Overview
4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one (CAS 849920-87-2), with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol. IUPAC: 1-methyl-4-(2-methylpropylamino)-3-nitroquinolin-2-one.
Chemical Property Profile of 4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one
Property Insights of 4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one
The XLogP value of 2.5146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one. The TPSA of 77.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one. Following Lipinski's Rule of Five, 4-(isobutylamino)-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-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one?
The CAS number of 4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one is 849920-87-2.
What is the molecular formula of 4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one?
The molecular formula of 4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one is C14H17N3O3.
What is the molecular weight of 4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one?
The molecular weight of 4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one is 275.13 g/mol.
Where can I buy 4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one?
You can request a quote for 4-(isobutylamino)-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-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(isobutylamino)-1-methyl-3-nitroquinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.