[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

C16H14N4O6 — CID 7632910

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C1CN(C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c2ccccc2N1
InChIInChI=1S/C16H14N4O6/c21-12-5-6-19(16(25)18-12)8-15(24)26-9-14(23)20-7-13(22)17-10-3-1-2-4-11(10)20/h1-6H,7-9H2,(H,17,22)(H,18,21,25)
InChIKeyCIKWTYVHSHJDMB-UHFFFAOYSA-N
MW358.31 g/mol
LogP-0.93
Rot. Bonds4

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 7632910) has the molecular formula C16H14N4O6 and a molecular weight of 358.31 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
PubChem CID7632910
Molecular FormulaC16H14N4O6
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C1CN(C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c2ccccc2N1
InChIInChI=1S/C16H14N4O6/c21-12-5-6-19(16(25)18-12)8-15(24)26-9-14(23)20-7-13(22)17-10-3-1-2-4-11(10)20/h1-6H,7-9H2,(H,17,22)(H,18,21,25)
InChIKeyCIKWTYVHSHJDMB-UHFFFAOYSA-N
XLogP-0.93
TPSA130.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate with MolForge

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Related Compounds

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727363
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2634946
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
CID 7758909
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673626
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 7854017
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-phenylphenoxy)acetate
CID 9140470
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191513
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-nitrophenyl)acetate
CID 7832899
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-fluorobenzoate
CID 2431024
trans-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776857
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methylbenzoate
CID 2506258

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (CID 7632910) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is O=C1CN(C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is CIKWTYVHSHJDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6/c21-12-5-6-19(16(25)18-12)8-15(24)26-9-14(23)20-7-13(22)17-10-3-1-2-4-11(10)20/h1-6H,7-9H2,(H,17,22)(H,18,21,25).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 358.31 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 7632910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).