3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone
TL;DR: 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone (CAS 130651-64-8) is a chemical compound with molecular formula C11H8N4O3 and molecular weight 244.05965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-2-methyl-7-nitro-1-oxoisoquinoline-4-carbonitrile
Also Known As: 3-amino-2-methyl-7-nitro-1-oxo-1,2-dihydroisoquinoline-4-carbonitrile, 3-amino-2-methyl-7-nitro-1-oxoisoquinoline-4-carbonitrile, 3-amino-4-cyano-2-methyl-7-nitro-1(2h)-isoquinolinone, 3-amino-2-methyl-7-nitro-1-oxo-2-hydroisoquinoline-4-carbonitrile, 3-amino-2-methyl-7-nitro-1-oxo-1,2-dihydro-4-isoquinolinecarbonitrile
Technical Specifications
| Molecular Formula | C11H8N4O3 |
| Molecular Weight | 244.05965 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.05965 Da |
| Heavy Atoms | 18 |
| Complexity | 484.0 |
| SMILES | CN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C#N)N |
| InChIKey | HACOMJRQRUDLMI-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone
Property Insights of 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone. Following Lipinski's Rule of Five, 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone?
The CAS number of 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone is 130651-64-8.
What is the molecular formula of 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone?
The molecular formula of 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone is C11H8N4O3.
What is the molecular weight of 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone?
The molecular weight of 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone is 244.05965 g/mol.
Where can I buy 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone?
You can request a quote for 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone?
Yes, CoreyChem provides custom synthesis services for 3-Amino-4-cyano-2-methyl-7-nitro-1(2H)-isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.