[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

C15H14N2O6 — CID 2997786

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESO=C1CN(C(=O)COC(=O)C2=COCCO2)c2ccccc2N1
InChIInChI=1S/C15H14N2O6/c18-13-7-17(11-4-2-1-3-10(11)16-13)14(19)9-23-15(20)12-8-21-5-6-22-12/h1-4,8H,5-7,9H2,(H,16,18)
InChIKeyUCMPZZYMCSWTKC-UHFFFAOYSA-N
MW318.29 g/mol
LogP0.40
Rot. Bonds3

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (PubChem CID 2997786) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
PubChem CID2997786
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESO=C1CN(C(=O)COC(=O)C2=COCCO2)c2ccccc2N1
InChIInChI=1S/C15H14N2O6/c18-13-7-17(11-4-2-1-3-10(11)16-13)14(19)9-23-15(20)12-8-21-5-6-22-12/h1-4,8H,5-7,9H2,(H,16,18)
InChIKeyUCMPZZYMCSWTKC-UHFFFAOYSA-N
XLogP0.40
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate with MolForge

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Related Compounds

Ethyl 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetate
CID 292823
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2121211
(2-Anilino-2-oxoethyl) 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2488438
N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 25161829
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17402424
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 5993753
[2-[Methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395500
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 8763345
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17414264
ethyl 2-(2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)acetamido)acetate
CID 18575691
2-Oxo-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetic acid
CID 43445015
2-[2-(2-Morpholin-4-ylanilino)-2-oxoethoxy]acetic acid
CID 2813227

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (CID 2997786) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is O=C1CN(C(=O)COC(=O)C2=COCCO2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The InChIKey is UCMPZZYMCSWTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6/c18-13-7-17(11-4-2-1-3-10(11)16-13)14(19)9-23-15(20)12-8-21-5-6-22-12/h1-4,8H,5-7,9H2,(H,16,18).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate has a molecular weight of 318.29 g/mol, XLogP of 0.40, 3 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] 2,3-dihydro-1,4-dioxine-5-carboxylate is sourced from PubChem (CID 2997786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).