[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C22H19NO5 — CID 7901959

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)c3c(C)[nH]c4ccccc34)coc2c1
InChIInChI=1S/C22H19NO5/c1-13-22(17-5-3-4-6-18(17)23-13)19(24)12-28-21(25)9-14-11-27-20-10-15(26-2)7-8-16(14)20/h3-8,10-11,23H,9,12H2,1-2H3
InChIKeyQARAOXXGWITBLQ-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.20
Rot. Bonds6

About [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 7901959) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID7901959
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)c3c(C)[nH]c4ccccc34)coc2c1
InChIInChI=1S/C22H19NO5/c1-13-22(17-5-3-4-6-18(17)23-13)19(24)12-28-21(25)9-14-11-27-20-10-15(26-2)7-8-16(14)20/h3-8,10-11,23H,9,12H2,1-2H3
InChIKeyQARAOXXGWITBLQ-UHFFFAOYSA-N
XLogP4.20
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 42983061
[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4651451
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821333
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791394
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853705
4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one
CID 37238310
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538741
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 46607306
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 7901959) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCC(=O)c3c(C)[nH]c4ccccc34)coc2c1.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is QARAOXXGWITBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-13-22(17-5-3-4-6-18(17)23-13)19(24)12-28-21(25)9-14-11-27-20-10-15(26-2)7-8-16(14)20/h3-8,10-11,23H,9,12H2,1-2H3.
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 377.40 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7901959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).