3-(2-benzofuran-1-yl)isoquinoline

C17H11NO — CID 91281144

IUPAC3-(2-benzofuran-1-yl)isoquinoline
SMILESc1ccc2cc(-c3occ4ccccc34)ncc2c1
InChIInChI=1S/C17H11NO/c1-2-6-13-10-18-16(9-12(13)5-1)17-15-8-4-3-7-14(15)11-19-17/h1-11H
InChIKeyGDEPQJIEZWVWDC-UHFFFAOYSA-N
MW245.28 g/mol
LogP4.65
Rot. Bonds1

About 3-(2-benzofuran-1-yl)isoquinoline

3-(2-benzofuran-1-yl)isoquinoline (PubChem CID 91281144) has the molecular formula C17H11NO and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(2-benzofuran-1-yl)isoquinoline.

Molecular Properties

Compound Name3-(2-benzofuran-1-yl)isoquinoline
PubChem CID91281144
Molecular FormulaC17H11NO
Molecular Weight245.28 g/mol
Exact Mass245.08
IUPAC Name3-(2-benzofuran-1-yl)isoquinoline
SMILESc1ccc2cc(-c3occ4ccccc34)ncc2c1
InChIInChI=1S/C17H11NO/c1-2-6-13-10-18-16(9-12(13)5-1)17-15-8-4-3-7-14(15)11-19-17/h1-11H
InChIKeyGDEPQJIEZWVWDC-UHFFFAOYSA-N
XLogP4.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-benzofuran-1-yl)isoquinoline?
The IUPAC name of 3-(2-benzofuran-1-yl)isoquinoline (CID 91281144) is 3-(2-benzofuran-1-yl)isoquinoline.
What is the SMILES notation for 3-(2-benzofuran-1-yl)isoquinoline?
The canonical SMILES for 3-(2-benzofuran-1-yl)isoquinoline is c1ccc2cc(-c3occ4ccccc34)ncc2c1.
What is the InChIKey of 3-(2-benzofuran-1-yl)isoquinoline?
The InChIKey is GDEPQJIEZWVWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO/c1-2-6-13-10-18-16(9-12(13)5-1)17-15-8-4-3-7-14(15)11-19-17/h1-11H.
What are the key properties of 3-(2-benzofuran-1-yl)isoquinoline?
3-(2-benzofuran-1-yl)isoquinoline has a molecular weight of 245.28 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzofuran-1-yl)isoquinoline is sourced from PubChem (CID 91281144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).