4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone
TL;DR: 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone (CAS 141945-52-0) is a chemical compound with molecular formula C17H15N3O3 and molecular weight 309.11133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(benzylamino)-1-methyl-3-nitroquinolin-2-one
Also Known As: DivK1c_005504, CDS1_004464, 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone, 4-(benzylamino)-1-methyl-3-nitroquinolin-2-one, BIM-0030199.P001
Technical Specifications
| Molecular Formula | C17H15N3O3 |
| Molecular Weight | 309.11133 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.11133 Da |
| Heavy Atoms | 23 |
| Complexity | 506.0 |
| SMILES | CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC3=CC=CC=C3 |
| InChIKey | NTMHISRCDDPCHX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone
Property Insights of 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone
The XLogP value of 3.3 indicates that 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone. Following Lipinski's Rule of Five, 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone 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
What is the CAS number of 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone?
The CAS number of 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone is 141945-52-0.
What is the molecular formula of 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone?
The molecular formula of 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone is C17H15N3O3.
What is the molecular weight of 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone?
The molecular weight of 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone is 309.11133 g/mol.
Where can I buy 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone?
You can request a quote for 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone?
Yes, CoreyChem provides custom synthesis services for 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.