About 2-phenyl-4-phenylmethoxyquinoline
2-phenyl-4-phenylmethoxyquinoline (PubChem CID 14954067) has the molecular formula C22H17NO
and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-phenyl-4-phenylmethoxyquinoline.
Molecular Properties
| Compound Name | 2-phenyl-4-phenylmethoxyquinoline |
| PubChem CID | 14954067 |
| Molecular Formula | C22H17NO |
| Molecular Weight | 311.38 g/mol |
| Exact Mass | 311.13 |
| IUPAC Name | 2-phenyl-4-phenylmethoxyquinoline |
| SMILES | c1ccc(COc2cc(-c3ccccc3)nc3ccccc23)cc1 |
| InChI | InChI=1S/C22H17NO/c1-3-9-17(10-4-1)16-24-22-15-21(18-11-5-2-6-12-18)23-20-14-8-7-13-19(20)22/h1-15H,16H2 |
| InChIKey | OJUYBSPIFYOBBL-UHFFFAOYSA-N |
| XLogP | 5.48 |
| TPSA | 22.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 311.38 |
| LogP ≤ 5 | 5.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-phenyl-4-phenylmethoxyquinoline?
The IUPAC name of 2-phenyl-4-phenylmethoxyquinoline (CID 14954067) is 2-phenyl-4-phenylmethoxyquinoline.
What is the SMILES notation for 2-phenyl-4-phenylmethoxyquinoline?
The canonical SMILES for 2-phenyl-4-phenylmethoxyquinoline is c1ccc(COc2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 2-phenyl-4-phenylmethoxyquinoline?
The InChIKey is OJUYBSPIFYOBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-3-9-17(10-4-1)16-24-22-15-21(18-11-5-2-6-12-18)23-20-14-8-7-13-19(20)22/h1-15H,16H2.
What are the key properties of 2-phenyl-4-phenylmethoxyquinoline?
2-phenyl-4-phenylmethoxyquinoline has a molecular weight of 311.38 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-phenylmethoxyquinoline is sourced from PubChem (CID 14954067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).