[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

C26H20N2O6 — CID 2091406

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
SMILESO=C1CN(C(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2)c2ccccc2N1
InChIInChI=1S/C26H20N2O6/c29-23-14-28(21-12-6-5-11-20(21)27-23)24(30)16-33-26(31)25-19(15-32-17-8-2-1-3-9-17)18-10-4-7-13-22(18)34-25/h1-13H,14-16H2,(H,27,29)
InChIKeyNURLKZGSTCGWDF-UHFFFAOYSA-N
MW456.45 g/mol
LogP4.15
Rot. Bonds6

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 2091406) has the molecular formula C26H20N2O6 and a molecular weight of 456.45 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID2091406
Molecular FormulaC26H20N2O6
Molecular Weight456.45 g/mol
Exact Mass456.13
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
SMILESO=C1CN(C(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2)c2ccccc2N1
InChIInChI=1S/C26H20N2O6/c29-23-14-28(21-12-6-5-11-20(21)27-23)24(30)16-33-26(31)25-19(15-32-17-8-2-1-3-9-17)18-10-4-7-13-22(18)34-25/h1-13H,14-16H2,(H,27,29)
InChIKeyNURLKZGSTCGWDF-UHFFFAOYSA-N
XLogP4.15
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate with MolForge

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Related Compounds

N-[2-(4-benzoyl-1-piperazinyl)phenyl]-1-benzofuran-2-carboxamide
CID 1287918
3-[[2-(4-Methyl-1-piperazinyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester
CID 660540
N-[2-(morpholin-4-yl)phenyl]-1-benzofuran-2-carboxamide
CID 752449
N-[2-(4-methyl-1-piperazinyl)phenyl]-1-benzofuran-2-carboxamide
CID 935541
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 2109673
N-[4-(4-benzoyl-1-piperazinyl)phenyl]-1-benzofuran-2-carboxamide
CID 2236635
5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 2441245
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2511362
4-(1-Benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2526893
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 2570762
N-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 2996437
5-methoxy-3-methyl-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 7922254

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate (CID 2091406) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate is O=C1CN(C(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is NURLKZGSTCGWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O6/c29-23-14-28(21-12-6-5-11-20(21)27-23)24(30)16-33-26(31)25-19(15-32-17-8-2-1-3-9-17)18-10-4-7-13-22(18)34-25/h1-13H,14-16H2,(H,27,29).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 456.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2091406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).