8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C31H18FN3O — CID 169293885

IUPAC8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESFc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5oc5ncccc56)nc4)cnc3c2)cc1
InChIInChI=1S/C31H18FN3O/c32-24-11-8-19(9-12-24)20-6-7-21-15-23(18-35-29(21)16-20)22-10-13-28(34-17-22)27-4-1-3-25-26-5-2-14-33-31(26)36-30(25)27/h1-18H
InChIKeyCUVAASKXMVZMKF-UHFFFAOYSA-N
MW467.50 g/mol
LogP8.06
Rot. Bonds3

About 8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 169293885) has the molecular formula C31H18FN3O and a molecular weight of 467.50 g/mol. Its IUPAC name is 8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID169293885
Molecular FormulaC31H18FN3O
Molecular Weight467.50 g/mol
Exact Mass467.14
IUPAC Name8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESFc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5oc5ncccc56)nc4)cnc3c2)cc1
InChIInChI=1S/C31H18FN3O/c32-24-11-8-19(9-12-24)20-6-7-21-15-23(18-35-29(21)16-20)22-10-13-28(34-17-22)27-4-1-3-25-26-5-2-14-33-31(26)36-30(25)27/h1-18H
InChIKeyCUVAASKXMVZMKF-UHFFFAOYSA-N
XLogP8.06
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.50
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-dibenzofuran-4-ylphenyl)-7-(4-fluorophenyl)quinoline
CID 169293776
8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 170043073
3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293933
7-(4-fluorophenyl)-3-(6-pyridin-3-yl-3-pyridinyl)quinoline
CID 169293460
7-[4-(4-fluorophenyl)phenyl]-3-(4-naphthalen-1-ylphenyl)quinoline
CID 169293904
2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
CID 166564112
3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293939
[4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane
CID 170291710
8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 170293616
3-(6-quinolin-8-yl-3-pyridinyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293945
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
[4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane
CID 170293837

Frequently Asked Questions

What is the IUPAC name of 8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 169293885) is 8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is Fc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5oc5ncccc56)nc4)cnc3c2)cc1.
What is the InChIKey of 8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is CUVAASKXMVZMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18FN3O/c32-24-11-8-19(9-12-24)20-6-7-21-15-23(18-35-29(21)16-20)22-10-13-28(34-17-22)27-4-1-3-25-26-5-2-14-33-31(26)36-30(25)27/h1-18H.
What are the key properties of 8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 467.50 g/mol, XLogP of 8.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 169293885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).