About 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide
2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide (PubChem CID 46376165) has the molecular formula C23H18N2O2
and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide.
Molecular Properties
| Compound Name | 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide |
| PubChem CID | 46376165 |
| Molecular Formula | C23H18N2O2 |
| Molecular Weight | 354.41 g/mol |
| Exact Mass | 354.14 |
| IUPAC Name | 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide |
| SMILES | COc1ccccc1C(=O)Nc1ccc(-c2ccc3ccccc3n2)cc1 |
| InChI | InChI=1S/C23H18N2O2/c1-27-22-9-5-3-7-19(22)23(26)24-18-13-10-17(11-14-18)21-15-12-16-6-2-4-8-20(16)25-21/h2-15H,1H3,(H,24,26) |
| InChIKey | QEADXVNJLRQCQD-UHFFFAOYSA-N |
| XLogP | 5.16 |
| TPSA | 51.22 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 27 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 354.41 |
| LogP ≤ 5 | 5.16 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide?
The IUPAC name of 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide (CID 46376165) is 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide?
The canonical SMILES for 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide is COc1ccccc1C(=O)Nc1ccc(-c2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide?
The InChIKey is QEADXVNJLRQCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-27-22-9-5-3-7-19(22)23(26)24-18-13-10-17(11-14-18)21-15-12-16-6-2-4-8-20(16)25-21/h2-15H,1H3,(H,24,26).
What are the key properties of 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide?
2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide is sourced from PubChem (CID 46376165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).