About 7-methylpyrano[2,3-b]quinolin-2-one
7-methylpyrano[2,3-b]quinolin-2-one (PubChem CID 10398229) has the molecular formula C13H9NO2
and a molecular weight of 211.22 g/mol. Its IUPAC name is 7-methylpyrano[2,3-b]quinolin-2-one.
Molecular Properties
| Compound Name | 7-methylpyrano[2,3-b]quinolin-2-one |
| PubChem CID | 10398229 |
| Molecular Formula | C13H9NO2 |
| Molecular Weight | 211.22 g/mol |
| Exact Mass | 211.06 |
| IUPAC Name | 7-methylpyrano[2,3-b]quinolin-2-one |
| SMILES | Cc1ccc2nc3oc(=O)ccc3cc2c1 |
| InChI | InChI=1S/C13H9NO2/c1-8-2-4-11-10(6-8)7-9-3-5-12(15)16-13(9)14-11/h2-7H,1H3 |
| InChIKey | LIVMPOBGPNFPRG-UHFFFAOYSA-N |
| XLogP | 2.65 |
| TPSA | 43.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 211.22 |
| LogP ≤ 5 | 2.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 7-methylpyrano[2,3-b]quinolin-2-one?
The IUPAC name of 7-methylpyrano[2,3-b]quinolin-2-one (CID 10398229) is 7-methylpyrano[2,3-b]quinolin-2-one.
What is the SMILES notation for 7-methylpyrano[2,3-b]quinolin-2-one?
The canonical SMILES for 7-methylpyrano[2,3-b]quinolin-2-one is Cc1ccc2nc3oc(=O)ccc3cc2c1.
What is the InChIKey of 7-methylpyrano[2,3-b]quinolin-2-one?
The InChIKey is LIVMPOBGPNFPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c1-8-2-4-11-10(6-8)7-9-3-5-12(15)16-13(9)14-11/h2-7H,1H3.
What are the key properties of 7-methylpyrano[2,3-b]quinolin-2-one?
7-methylpyrano[2,3-b]quinolin-2-one has a molecular weight of 211.22 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylpyrano[2,3-b]quinolin-2-one is sourced from PubChem (CID 10398229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).