About N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide
N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide (PubChem CID 23017979) has the molecular formula C26H28N2O6S
and a molecular weight of 496.59 g/mol. Its IUPAC name is N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide.
Molecular Properties
| Compound Name | N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide |
|---|
| PubChem CID | 23017979 |
|---|
| Molecular Formula | C26H28N2O6S |
|---|
| Molecular Weight | 496.59 g/mol |
|---|
| Exact Mass | 496.17 |
|---|
| IUPAC Name | N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide |
|---|
| SMILES | Cc1cc(COc2ccc(S(=O)(=O)CC(C=C3CCOCC3)N(O)C=O)cc2)c2ccccc2n1 |
|---|
| InChI | InChI=1S/C26H28N2O6S/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-34-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-33-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3 |
|---|
| InChIKey | QSRYPQMSBYPAQC-UHFFFAOYSA-N |
|---|
| XLogP | 3.85 |
|---|
| TPSA | 106.03 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 496.59 |
| LogP ≤ 5 | 3.85 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide 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 N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide?
The IUPAC name of N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide (CID 23017979) is N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide.
What is the SMILES notation for N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide?
The canonical SMILES for N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide is Cc1cc(COc2ccc(S(=O)(=O)CC(C=C3CCOCC3)N(O)C=O)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide?
The InChIKey is QSRYPQMSBYPAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6S/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-34-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-33-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3.
What are the key properties of N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide?
N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide has a molecular weight of 496.59 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide is sourced from PubChem (CID 23017979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).