2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide

C21H18N2O2 — CID 29371500

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide
SMILESCc1ccc2c(CC(=O)Nc3cccc4cnccc34)coc2c1C
InChIInChI=1S/C21H18N2O2/c1-13-6-7-18-16(12-25-21(18)14(13)2)10-20(24)23-19-5-3-4-15-11-22-9-8-17(15)19/h3-9,11-12H,10H2,1-2H3,(H,23,24)
InChIKeyLFJHOCKJGTUPAP-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.78
Rot. Bonds3

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide (PubChem CID 29371500) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide
PubChem CID29371500
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide
SMILESCc1ccc2c(CC(=O)Nc3cccc4cnccc34)coc2c1C
InChIInChI=1S/C21H18N2O2/c1-13-6-7-18-16(12-25-21(18)14(13)2)10-20(24)23-19-5-3-4-15-11-22-9-8-17(15)19/h3-9,11-12H,10H2,1-2H3,(H,23,24)
InChIKeyLFJHOCKJGTUPAP-UHFFFAOYSA-N
XLogP4.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-fluorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 9146411
N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 1243073
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 23973660
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17415366
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
CID 48666812
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 42989351
3-(ethylamino)-N-isoquinolin-5-ylpropanamide
CID 62831440
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide (CID 29371500) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide is Cc1ccc2c(CC(=O)Nc3cccc4cnccc34)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide?
The InChIKey is LFJHOCKJGTUPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-13-6-7-18-16(12-25-21(18)14(13)2)10-20(24)23-19-5-3-4-15-11-22-9-8-17(15)19/h3-9,11-12H,10H2,1-2H3,(H,23,24).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide has a molecular weight of 330.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide is sourced from PubChem (CID 29371500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).