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

C21H18N2O2 — CID 18146505

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide
SMILESCc1cc2occ(CC(=O)Nc3cnc4ccccc4c3)c2cc1C
InChIInChI=1S/C21H18N2O2/c1-13-7-18-16(12-25-20(18)8-14(13)2)10-21(24)23-17-9-15-5-3-4-6-19(15)22-11-17/h3-9,11-12H,10H2,1-2H3,(H,23,24)
InChIKeyHCNKETLCFPZPPT-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.78
Rot. Bonds3

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

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide (PubChem CID 18146505) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide
PubChem CID18146505
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide
SMILESCc1cc2occ(CC(=O)Nc3cnc4ccccc4c3)c2cc1C
InChIInChI=1S/C21H18N2O2/c1-13-7-18-16(12-25-20(18)8-14(13)2)10-21(24)23-17-9-15-5-3-4-6-19(15)22-11-17/h3-9,11-12H,10H2,1-2H3,(H,23,24)
InChIKeyHCNKETLCFPZPPT-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

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Related Compounds

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 18151370
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145
2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide
CID 18146501
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78890275
4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 38107740
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021987
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-phenylphenyl)acetamide
CID 16546100

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide (CID 18146505) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide is Cc1cc2occ(CC(=O)Nc3cnc4ccccc4c3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide?
The InChIKey is HCNKETLCFPZPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-13-7-18-16(12-25-20(18)8-14(13)2)10-21(24)23-17-9-15-5-3-4-6-19(15)22-11-17/h3-9,11-12H,10H2,1-2H3,(H,23,24).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-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-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide is sourced from PubChem (CID 18146505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).