1-(7-fluorodibenzofuran-4-yl)isoquinoline

C21H12FNO — CID 164797559

IUPAC1-(7-fluorodibenzofuran-4-yl)isoquinoline
SMILESFc1ccc2c(c1)oc1c(-c3nccc4ccccc34)cccc12
InChIInChI=1S/C21H12FNO/c22-14-8-9-16-17-6-3-7-18(21(17)24-19(16)12-14)20-15-5-2-1-4-13(15)10-11-23-20/h1-12H
InChIKeyWASRQGITXFXDPY-UHFFFAOYSA-N
MW313.33 g/mol
LogP5.94
Rot. Bonds1

About 1-(7-fluorodibenzofuran-4-yl)isoquinoline

1-(7-fluorodibenzofuran-4-yl)isoquinoline (PubChem CID 164797559) has the molecular formula C21H12FNO and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-(7-fluorodibenzofuran-4-yl)isoquinoline.

Molecular Properties

Compound Name1-(7-fluorodibenzofuran-4-yl)isoquinoline
PubChem CID164797559
Molecular FormulaC21H12FNO
Molecular Weight313.33 g/mol
Exact Mass313.09
IUPAC Name1-(7-fluorodibenzofuran-4-yl)isoquinoline
SMILESFc1ccc2c(c1)oc1c(-c3nccc4ccccc34)cccc12
InChIInChI=1S/C21H12FNO/c22-14-8-9-16-17-6-3-7-18(21(17)24-19(16)12-14)20-15-5-2-1-4-13(15)10-11-23-20/h1-12H
InChIKeyWASRQGITXFXDPY-UHFFFAOYSA-N
XLogP5.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.33
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline
CID 154960405
9-fluoro-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline
CID 167354556
4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine
CID 170777206
8-tert-butyl-4-dibenzofuran-4-ylbenzo[f]isoquinoline
CID 118566739
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine
CID 162708942
2-(7-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
CID 164827019
2-(7-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-b]quinoxaline
CID 164826444
4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine
CID 155611887
1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole
CID 162776925
1-(4-fluorobenzene-6-id-1-yl)isoquinoline
CID 102348692
2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline
CID 164826973
2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
CID 166564112

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluorodibenzofuran-4-yl)isoquinoline?
The IUPAC name of 1-(7-fluorodibenzofuran-4-yl)isoquinoline (CID 164797559) is 1-(7-fluorodibenzofuran-4-yl)isoquinoline.
What is the SMILES notation for 1-(7-fluorodibenzofuran-4-yl)isoquinoline?
The canonical SMILES for 1-(7-fluorodibenzofuran-4-yl)isoquinoline is Fc1ccc2c(c1)oc1c(-c3nccc4ccccc34)cccc12.
What is the InChIKey of 1-(7-fluorodibenzofuran-4-yl)isoquinoline?
The InChIKey is WASRQGITXFXDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FNO/c22-14-8-9-16-17-6-3-7-18(21(17)24-19(16)12-14)20-15-5-2-1-4-13(15)10-11-23-20/h1-12H.
What are the key properties of 1-(7-fluorodibenzofuran-4-yl)isoquinoline?
1-(7-fluorodibenzofuran-4-yl)isoquinoline has a molecular weight of 313.33 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluorodibenzofuran-4-yl)isoquinoline is sourced from PubChem (CID 164797559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).