ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate

C16H14N2O4 — CID 67641154

IUPACethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate
SMILESCCOC(=O)Cn1c(=O)c(=O)[nH]c2c3ccccc3ccc21
InChIInChI=1S/C16H14N2O4/c1-2-22-13(19)9-18-12-8-7-10-5-3-4-6-11(10)14(12)17-15(20)16(18)21/h3-8H,2,9H2,1H3,(H,17,20)
InChIKeyKGWCZNXPLUKCOW-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.41
Rot. Bonds3

About ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate

ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate (PubChem CID 67641154) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate
PubChem CID67641154
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Nameethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate
SMILESCCOC(=O)Cn1c(=O)c(=O)[nH]c2c3ccccc3ccc21
InChIInChI=1S/C16H14N2O4/c1-2-22-13(19)9-18-12-8-7-10-5-3-4-6-11(10)14(12)17-15(20)16(18)21/h3-8H,2,9H2,1H3,(H,17,20)
InChIKeyKGWCZNXPLUKCOW-UHFFFAOYSA-N
XLogP1.41
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(diethoxyphosphorylmethyl)-1H-benzo[f]quinoxaline-2,3-dione
CID 23196311
ethyl 4-(2-ethoxy-2-oxoethyl)-3-oxo-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene-12-carboxylate
CID 139085807
3-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)propanenitrile
CID 67643318
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 14423769
ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate
CID 11530714
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708
ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate
CID 13180324
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetate
CID 10198231
ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate
CID 3092862
tert-butyl N-[4-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)phenyl]carbamate
CID 86690019

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate?
The IUPAC name of ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate (CID 67641154) is ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate?
The canonical SMILES for ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate is CCOC(=O)Cn1c(=O)c(=O)[nH]c2c3ccccc3ccc21.
What is the InChIKey of ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate?
The InChIKey is KGWCZNXPLUKCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-2-22-13(19)9-18-12-8-7-10-5-3-4-6-11(10)14(12)17-15(20)16(18)21/h3-8H,2,9H2,1H3,(H,17,20).
What are the key properties of ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate?
ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate has a molecular weight of 298.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate is sourced from PubChem (CID 67641154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).