2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone

C18H13NO2 — CID 104542286

IUPAC2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1nccc2ccccc12
InChIInChI=1S/C18H13NO2/c20-18(14-5-6-16-13(11-14)8-10-21-16)17-15-4-2-1-3-12(15)7-9-19-17/h1-7,9,11H,8,10H2
InChIKeyBALYSIWWODLDHS-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.40
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone

2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone (PubChem CID 104542286) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone
PubChem CID104542286
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1nccc2ccccc12
InChIInChI=1S/C18H13NO2/c20-18(14-5-6-16-13(11-14)8-10-21-16)17-15-4-2-1-3-12(15)7-9-19-17/h1-7,9,11H,8,10H2
InChIKeyBALYSIWWODLDHS-UHFFFAOYSA-N
XLogP3.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone
CID 115797247
(3,5-difluorophenyl)-isoquinolin-1-ylmethanone
CID 63949034
2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone
CID 114988074
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone
CID 71898130
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone
CID 114972651
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
isoquinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 102334723
2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 43338491
(5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 115606037
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 60863461

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone (CID 104542286) is 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone is O=C(c1ccc2c(c1)CCO2)c1nccc2ccccc12.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone?
The InChIKey is BALYSIWWODLDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-18(14-5-6-16-13(11-14)8-10-21-16)17-15-4-2-1-3-12(15)7-9-19-17/h1-7,9,11H,8,10H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone?
2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone has a molecular weight of 275.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone is sourced from PubChem (CID 104542286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).