1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

C18H15NO2 — CID 114737388

IUPAC1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESO=C(c1cc2ccccc2o1)c1cccc2c1CCNC2
InChIInChI=1S/C18H15NO2/c20-18(17-10-12-4-1-2-7-16(12)21-17)15-6-3-5-13-11-19-9-8-14(13)15/h1-7,10,19H,8-9,11H2
InChIKeyFMMNBHIBECFXME-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.31
Rot. Bonds2

About 1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (PubChem CID 114737388) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
PubChem CID114737388
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESO=C(c1cc2ccccc2o1)c1cccc2c1CCNC2
InChIInChI=1S/C18H15NO2/c20-18(17-10-12-4-1-2-7-16(12)21-17)15-6-3-5-13-11-19-9-8-14(13)15/h1-7,10,19H,8-9,11H2
InChIKeyFMMNBHIBECFXME-UHFFFAOYSA-N
XLogP3.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 114737357
(2,4-difluorophenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612505
1-benzofuran-2-yl(piperidin-4-yl)methanone
CID 82275112
(5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone
CID 114725427
cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612426
1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone
CID 141300148
cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612626
1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
CID 11055263
1-benzofuran-2-yl-[3-(difluoromethoxy)phenyl]methanone
CID 43145532
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 115807026
1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone
CID 168514058
(4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612565

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (CID 114737388) is 1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is O=C(c1cc2ccccc2o1)c1cccc2c1CCNC2.
What is the InChIKey of 1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The InChIKey is FMMNBHIBECFXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-18(17-10-12-4-1-2-7-16(12)21-17)15-6-3-5-13-11-19-9-8-14(13)15/h1-7,10,19H,8-9,11H2.
What are the key properties of 1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone has a molecular weight of 277.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is sourced from PubChem (CID 114737388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).