About 4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride
4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride (PubChem CID 21250175) has the molecular formula C25H30ClN5O2
and a molecular weight of 468.00 g/mol. Its IUPAC name is 4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride.
Molecular Properties
| Compound Name | 4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride |
|---|
| PubChem CID | 21250175 |
|---|
| Molecular Formula | C25H30ClN5O2 |
|---|
| Molecular Weight | 468.00 g/mol |
|---|
| Exact Mass | 467.21 |
|---|
| IUPAC Name | 4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride |
|---|
| SMILES | Cl.[H]/N=C(\N)c1ccc(Cc2nc3cc(C(C)(C)C(=O)N4CCCC4)ccc3n(C)c2=O)cc1 |
|---|
| InChI | InChI=1S/C25H29N5O2.ClH/c1-25(2,24(32)30-12-4-5-13-30)18-10-11-21-19(15-18)28-20(23(31)29(21)3)14-16-6-8-17(9-7-16)22(26)27;/h6-11,15H,4-5,12-14H2,1-3H3,(H3,26,27);1H |
|---|
| InChIKey | SOXNEOIGNYCEFT-UHFFFAOYSA-N |
|---|
| XLogP | 3.13 |
|---|
| TPSA | 105.07 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 33 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 468.00 |
| LogP ≤ 5 | 3.13 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
|---|
Analyze 4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride (CID 21250175) is 4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(Cc2nc3cc(C(C)(C)C(=O)N4CCCC4)ccc3n(C)c2=O)cc1.
What is the InChIKey of 4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride?
The InChIKey is SOXNEOIGNYCEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2.ClH/c1-25(2,24(32)30-12-4-5-13-30)18-10-11-21-19(15-18)28-20(23(31)29(21)3)14-16-6-8-17(9-7-16)22(26)27;/h6-11,15H,4-5,12-14H2,1-3H3,(H3,26,27);1H.
What are the key properties of 4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride?
4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride has a molecular weight of 468.00 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-7-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 21250175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).