1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide
TL;DR: 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide (CAS 21389-75-3) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3-dioxo-N-phenyl-4H-isoquinoline-4-carboxamide
Also Known As: 1,2,3,4-TETRAHYDRO-2-METHYL-1,3-DIOXO-4-ISOQUINOLINE CARBOXANILIDE, 2-methyl-1,3-dioxo-N-phenyl-4H-isoquinoline-4-carboxamide, 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-N-phenyl-4-isoquinolinecarboxamide, 4-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-2-methyl-1,3-dioxo-N-phenyl-, 3-Hydroxy-2-methyl-1-oxo-1,2-dihydro-isoquinoline-4-carboxylic acid phenylamide
| Molecular Formula | C17H14N2O3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.10043 |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 21389-75-3 |
|---|---|
| SMILES | CN1C(=O)C(C2=CC=CC=C2C1=O)C(=O)NC3=CC=CC=C3 |
| InChIKey | CTHXOJIKZUVJHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide (CAS 21389-75-3), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: 2-methyl-1,3-dioxo-N-phenyl-4H-isoquinoline-4-carboxamide.
Chemical Property Profile of 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide
Property Insights of 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide has 1 hydrogen bond donor(s) and 3 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 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide?
The CAS number of 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide is 21389-75-3.
What is the molecular formula of 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide?
The molecular formula of 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide is C17H14N2O3.
What is the molecular weight of 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide?
The molecular weight of 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide is 294.10 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide?
You can request a quote for 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-2-methyl-1,3-dioxo-4-isoquinoline carboxanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.