2-dibenzofuran-3-ylquinoline

C21H13NO — CID 90057427

IUPAC2-dibenzofuran-3-ylquinoline
SMILESc1ccc2nc(-c3ccc4c(c3)oc3ccccc34)ccc2c1
InChIInChI=1S/C21H13NO/c1-3-7-18-14(5-1)10-12-19(22-18)15-9-11-17-16-6-2-4-8-20(16)23-21(17)13-15/h1-13H
InChIKeyAEDRIROTYIWXDY-UHFFFAOYSA-N
MW295.34 g/mol
LogP5.80
Rot. Bonds1

About 2-dibenzofuran-3-ylquinoline

2-dibenzofuran-3-ylquinoline (PubChem CID 90057427) has the molecular formula C21H13NO and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-dibenzofuran-3-ylquinoline.

Molecular Properties

Compound Name2-dibenzofuran-3-ylquinoline
PubChem CID90057427
Molecular FormulaC21H13NO
Molecular Weight295.34 g/mol
Exact Mass295.10
IUPAC Name2-dibenzofuran-3-ylquinoline
SMILESc1ccc2nc(-c3ccc4c(c3)oc3ccccc34)ccc2c1
InChIInChI=1S/C21H13NO/c1-3-7-18-14(5-1)10-12-19(22-18)15-9-11-17-16-6-2-4-8-20(16)23-21(17)13-15/h1-13H
InChIKeyAEDRIROTYIWXDY-UHFFFAOYSA-N
XLogP5.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.34
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-ylquinoline?
The IUPAC name of 2-dibenzofuran-3-ylquinoline (CID 90057427) is 2-dibenzofuran-3-ylquinoline.
What is the SMILES notation for 2-dibenzofuran-3-ylquinoline?
The canonical SMILES for 2-dibenzofuran-3-ylquinoline is c1ccc2nc(-c3ccc4c(c3)oc3ccccc34)ccc2c1.
What is the InChIKey of 2-dibenzofuran-3-ylquinoline?
The InChIKey is AEDRIROTYIWXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO/c1-3-7-18-14(5-1)10-12-19(22-18)15-9-11-17-16-6-2-4-8-20(16)23-21(17)13-15/h1-13H.
What are the key properties of 2-dibenzofuran-3-ylquinoline?
2-dibenzofuran-3-ylquinoline has a molecular weight of 295.34 g/mol, XLogP of 5.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-ylquinoline is sourced from PubChem (CID 90057427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).