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

C20H16N2O5 — CID 2511362

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)oc2ccccc12
InChIInChI=1S/C20H16N2O5/c1-12-13-6-2-5-9-16(13)27-19(12)20(25)26-11-18(24)22-10-17(23)21-14-7-3-4-8-15(14)22/h2-9H,10-11H2,1H3,(H,21,23)
InChIKeyHKBDNMXFGXQXNM-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.88
Rot. Bonds3

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2511362) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate
PubChem CID2511362
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)oc2ccccc12
InChIInChI=1S/C20H16N2O5/c1-12-13-6-2-5-9-16(13)27-19(12)20(25)26-11-18(24)22-10-17(23)21-14-7-3-4-8-15(14)22/h2-9H,10-11H2,1H3,(H,21,23)
InChIKeyHKBDNMXFGXQXNM-UHFFFAOYSA-N
XLogP2.88
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate (CID 2511362) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)oc2ccccc12.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is HKBDNMXFGXQXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-12-13-6-2-5-9-16(13)27-19(12)20(25)26-11-18(24)22-10-17(23)21-14-7-3-4-8-15(14)22/h2-9H,10-11H2,1H3,(H,21,23).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 364.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2511362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).