[3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate

C14H14N2O4 — CID 29964

IUPAC[3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate
SMILESCC(=O)OCc1nc2ccccc2nc1COC(C)=O
InChIInChI=1S/C14H14N2O4/c1-9(17)19-7-13-14(8-20-10(2)18)16-12-6-4-3-5-11(12)15-13/h3-6H,7-8H2,1-2H3
InChIKeyCOCDVJKQLTZEIZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.76
Rot. Bonds4

About [3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate

[3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate (PubChem CID 29964) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is [3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate.

Molecular Properties

Compound Name[3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate
PubChem CID29964
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name[3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate
SMILESCC(=O)OCc1nc2ccccc2nc1COC(C)=O
InChIInChI=1S/C14H14N2O4/c1-9(17)19-7-13-14(8-20-10(2)18)16-12-6-4-3-5-11(12)15-13/h3-6H,7-8H2,1-2H3
InChIKeyCOCDVJKQLTZEIZ-UHFFFAOYSA-N
XLogP1.76
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-methylquinoxaline-2-carboxylate
CID 589024
Ethyl 3-Chloroquinoxaline-2-carboxylate
CID 12283436
Ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate
CID 15365257
Ethyl 3-(2-cyclopropylethynyl)quinoxaline-2-carboxylate
CID 134131345
2,3-Quinoxalinedimethanol
CID 81515
2-Quinoxalinecarboxylic acid, 3-methyl-, methyl ester
CID 10867376
Dimethyl quinoxaline-2,3-dicarboxylate
CID 298052
(3-Methylquinoxalin-2-yl)methanol
CID 14338463
Ethyl 3-(difluoromethyl)quinoxaline-2-carboxylate
CID 91927200
Ethyl 6,7-difluoro-3-methyl-2-quinoxalinecarboxylate
CID 129857650
3-(Ethoxycarbonyl)-2-methylquinoxalin-1-ium-1-olate
CID 616024
1,1,3,3-Tetrafluoro-1,3-dihydrofuro[3,4-b]quinoxaline
CID 129738738

Frequently Asked Questions

What is the IUPAC name of [3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate?
The IUPAC name of [3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate (CID 29964) is [3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate.
What is the SMILES notation for [3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate?
The canonical SMILES for [3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate is CC(=O)OCc1nc2ccccc2nc1COC(C)=O.
What is the InChIKey of [3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate?
The InChIKey is COCDVJKQLTZEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9(17)19-7-13-14(8-20-10(2)18)16-12-6-4-3-5-11(12)15-13/h3-6H,7-8H2,1-2H3.
What are the key properties of [3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate?
[3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate has a molecular weight of 274.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate is sourced from PubChem (CID 29964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).