About N-(8-methoxyquinolin-5-yl)-3-methylbenzamide
N-(8-methoxyquinolin-5-yl)-3-methylbenzamide (PubChem CID 26823022) has the molecular formula C18H16N2O2
and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(8-methoxyquinolin-5-yl)-3-methylbenzamide.
Molecular Properties
| Compound Name | N-(8-methoxyquinolin-5-yl)-3-methylbenzamide |
| PubChem CID | 26823022 |
| Molecular Formula | C18H16N2O2 |
| Molecular Weight | 292.34 g/mol |
| Exact Mass | 292.12 |
| IUPAC Name | N-(8-methoxyquinolin-5-yl)-3-methylbenzamide |
| SMILES | COc1ccc(NC(=O)c2cccc(C)c2)c2cccnc12 |
| InChI | InChI=1S/C18H16N2O2/c1-12-5-3-6-13(11-12)18(21)20-15-8-9-16(22-2)17-14(15)7-4-10-19-17/h3-11H,1-2H3,(H,20,21) |
| InChIKey | XDUOFJPQQCJYQA-UHFFFAOYSA-N |
| XLogP | 3.80 |
| TPSA | 51.22 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 292.34 |
| LogP ≤ 5 | 3.80 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-(8-methoxyquinolin-5-yl)-3-methylbenzamide?
The IUPAC name of N-(8-methoxyquinolin-5-yl)-3-methylbenzamide (CID 26823022) is N-(8-methoxyquinolin-5-yl)-3-methylbenzamide.
What is the SMILES notation for N-(8-methoxyquinolin-5-yl)-3-methylbenzamide?
The canonical SMILES for N-(8-methoxyquinolin-5-yl)-3-methylbenzamide is COc1ccc(NC(=O)c2cccc(C)c2)c2cccnc12.
What is the InChIKey of N-(8-methoxyquinolin-5-yl)-3-methylbenzamide?
The InChIKey is XDUOFJPQQCJYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-5-3-6-13(11-12)18(21)20-15-8-9-16(22-2)17-14(15)7-4-10-19-17/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-(8-methoxyquinolin-5-yl)-3-methylbenzamide?
N-(8-methoxyquinolin-5-yl)-3-methylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxyquinolin-5-yl)-3-methylbenzamide is sourced from PubChem (CID 26823022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).