About 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline (PubChem CID 169293981) has the molecular formula C30H19FN2
and a molecular weight of 426.49 g/mol. Its IUPAC name is 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline.
Molecular Properties
| Compound Name | 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline |
| PubChem CID | 169293981 |
| Molecular Formula | C30H19FN2 |
| Molecular Weight | 426.49 g/mol |
| Exact Mass | 426.15 |
| IUPAC Name | 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline |
| SMILES | Fc1ccc(-c2ccc3cc(-c4ccc(-c5cnc6ccccc6c5)nc4)ccc3c2)cc1 |
| InChI | InChI=1S/C30H19FN2/c31-28-12-9-20(10-13-28)21-5-6-23-16-24(8-7-22(23)15-21)26-11-14-30(32-18-26)27-17-25-3-1-2-4-29(25)33-19-27/h1-19H |
| InChIKey | WYIKDQBSBRXJKG-UHFFFAOYSA-N |
| XLogP | 7.92 |
| TPSA | 25.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 33 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 426.49 |
| LogP ≤ 5 | 7.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline?
The IUPAC name of 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline (CID 169293981) is 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline.
What is the SMILES notation for 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline?
The canonical SMILES for 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline is Fc1ccc(-c2ccc3cc(-c4ccc(-c5cnc6ccccc6c5)nc4)ccc3c2)cc1.
What is the InChIKey of 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline?
The InChIKey is WYIKDQBSBRXJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19FN2/c31-28-12-9-20(10-13-28)21-5-6-23-16-24(8-7-22(23)15-21)26-11-14-30(32-18-26)27-17-25-3-1-2-4-29(25)33-19-27/h1-19H.
What are the key properties of 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline?
3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline has a molecular weight of 426.49 g/mol, XLogP of 7.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline is sourced from PubChem (CID 169293981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).