2-benzyl-6-(furan-3-yl)isoquinolin-1-one

C20H15NO2 — CID 171782197

IUPAC2-benzyl-6-(furan-3-yl)isoquinolin-1-one
SMILESO=c1c2ccc(-c3ccoc3)cc2ccn1Cc1ccccc1
InChIInChI=1S/C20H15NO2/c22-20-19-7-6-16(18-9-11-23-14-18)12-17(19)8-10-21(20)13-15-4-2-1-3-5-15/h1-12,14H,13H2
InChIKeyHEHYYTQCQPRBBJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.31
Rot. Bonds3

About 2-benzyl-6-(furan-3-yl)isoquinolin-1-one

2-benzyl-6-(furan-3-yl)isoquinolin-1-one (PubChem CID 171782197) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-benzyl-6-(furan-3-yl)isoquinolin-1-one.

Molecular Properties

Compound Name2-benzyl-6-(furan-3-yl)isoquinolin-1-one
PubChem CID171782197
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name2-benzyl-6-(furan-3-yl)isoquinolin-1-one
SMILESO=c1c2ccc(-c3ccoc3)cc2ccn1Cc1ccccc1
InChIInChI=1S/C20H15NO2/c22-20-19-7-6-16(18-9-11-23-14-18)12-17(19)8-10-21(20)13-15-4-2-1-3-5-15/h1-12,14H,13H2
InChIKeyHEHYYTQCQPRBBJ-UHFFFAOYSA-N
XLogP4.31
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(furan-3-yl)isoquinolin-1-one?
The IUPAC name of 2-benzyl-6-(furan-3-yl)isoquinolin-1-one (CID 171782197) is 2-benzyl-6-(furan-3-yl)isoquinolin-1-one.
What is the SMILES notation for 2-benzyl-6-(furan-3-yl)isoquinolin-1-one?
The canonical SMILES for 2-benzyl-6-(furan-3-yl)isoquinolin-1-one is O=c1c2ccc(-c3ccoc3)cc2ccn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-(furan-3-yl)isoquinolin-1-one?
The InChIKey is HEHYYTQCQPRBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-20-19-7-6-16(18-9-11-23-14-18)12-17(19)8-10-21(20)13-15-4-2-1-3-5-15/h1-12,14H,13H2.
What are the key properties of 2-benzyl-6-(furan-3-yl)isoquinolin-1-one?
2-benzyl-6-(furan-3-yl)isoquinolin-1-one has a molecular weight of 301.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(furan-3-yl)isoquinolin-1-one is sourced from PubChem (CID 171782197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).