(2-oxo-2-quinoxalin-2-ylethyl) acetate

C12H10N2O3 — CID 119091259

IUPAC(2-oxo-2-quinoxalin-2-ylethyl) acetate
SMILESCC(=O)OCC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C12H10N2O3/c1-8(15)17-7-12(16)11-6-13-9-4-2-3-5-10(9)14-11/h2-6H,7H2,1H3
InChIKeyRRWYHWBOWGCBPY-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.38
Rot. Bonds3

About (2-oxo-2-quinoxalin-2-ylethyl) acetate

(2-oxo-2-quinoxalin-2-ylethyl) acetate (PubChem CID 119091259) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is (2-oxo-2-quinoxalin-2-ylethyl) acetate.

Molecular Properties

Compound Name(2-oxo-2-quinoxalin-2-ylethyl) acetate
PubChem CID119091259
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name(2-oxo-2-quinoxalin-2-ylethyl) acetate
SMILESCC(=O)OCC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C12H10N2O3/c1-8(15)17-7-12(16)11-6-13-9-4-2-3-5-10(9)14-11/h2-6H,7H2,1H3
InChIKeyRRWYHWBOWGCBPY-UHFFFAOYSA-N
XLogP1.38
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Quinoxaline-2-carboxylic acid
CID 96695
Methyl quinoxaline-2-carboxylate
CID 478049
Quinoxaline-2-carbaldehyde
CID 594088
Ethyl 2-quinoxalinecarboxylate
CID 582701
1-(Quinoxalin-2-yl)ethan-1-one
CID 11105814
Quinoxaline-2-carboxylate
CID 4328335
Propyl quinoxaline-2-carboxylate
CID 477989
Ethyl cyano(2-quinoxalinyl)acetate
CID 607092
Octyl quinoxaline-2-carboxylate
CID 477985
1-Methylheptyl quinoxaline-2-carboxylate
CID 477988
(1-Methylpiperidin-4-yl) quinoxaline-2-carboxylate;hydrochloride
CID 12403529
3-Quinoxalin-2-ylprop-2-ynyl acetate
CID 162659699

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-quinoxalin-2-ylethyl) acetate?
The IUPAC name of (2-oxo-2-quinoxalin-2-ylethyl) acetate (CID 119091259) is (2-oxo-2-quinoxalin-2-ylethyl) acetate.
What is the SMILES notation for (2-oxo-2-quinoxalin-2-ylethyl) acetate?
The canonical SMILES for (2-oxo-2-quinoxalin-2-ylethyl) acetate is CC(=O)OCC(=O)c1cnc2ccccc2n1.
What is the InChIKey of (2-oxo-2-quinoxalin-2-ylethyl) acetate?
The InChIKey is RRWYHWBOWGCBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8(15)17-7-12(16)11-6-13-9-4-2-3-5-10(9)14-11/h2-6H,7H2,1H3.
What are the key properties of (2-oxo-2-quinoxalin-2-ylethyl) acetate?
(2-oxo-2-quinoxalin-2-ylethyl) acetate has a molecular weight of 230.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-quinoxalin-2-ylethyl) acetate is sourced from PubChem (CID 119091259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).