About 4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine
4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 167146266) has the molecular formula C44H24F2N6O
and a molecular weight of 690.71 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine.
Molecular Properties
| Compound Name | 4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine |
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| PubChem CID | 167146266 |
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| Molecular Formula | C44H24F2N6O |
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| Molecular Weight | 690.71 g/mol |
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| Exact Mass | 690.20 |
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| IUPAC Name | 4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine |
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| SMILES | Fc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(F)cc5)nc5cc(-c6ccnc7c6oc6ccccc67)ccc45)nc3)c3ccccc3n2)cc1 |
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| InChI | InChI=1S/C44H24F2N6O/c45-29-15-9-25(10-16-29)43-49-35-7-3-1-5-32(35)39(51-43)28-14-20-36(48-24-28)40-33-19-13-27(23-37(33)50-44(52-40)26-11-17-30(46)18-12-26)31-21-22-47-41-34-6-2-4-8-38(34)53-42(31)41/h1-24H |
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| InChIKey | CVLMSXDFLLUFNP-UHFFFAOYSA-N |
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| XLogP | 10.88 |
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| TPSA | 90.48 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 53 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 690.71 |
| LogP ≤ 5 | 10.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine (CID 167146266) is 4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine is Fc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(F)cc5)nc5cc(-c6ccnc7c6oc6ccccc67)ccc45)nc3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is CVLMSXDFLLUFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F2N6O/c45-29-15-9-25(10-16-29)43-49-35-7-3-1-5-32(35)39(51-43)28-14-20-36(48-24-28)40-33-19-13-27(23-37(33)50-44(52-40)26-11-17-30(46)18-12-26)31-21-22-47-41-34-6-2-4-8-38(34)53-42(31)41/h1-24H.
What are the key properties of 4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine?
4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 690.71 g/mol, XLogP of 10.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 167146266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).