quinoxalin-2-yl acetate

C10H8N2O2 — CID 69347741

IUPACquinoxalin-2-yl acetate
SMILESCC(=O)Oc1cnc2ccccc2n1
InChIInChI=1S/C10H8N2O2/c1-7(13)14-10-6-11-8-4-2-3-5-9(8)12-10/h2-6H,1H3
InChIKeyAQPZAAXNHAOLTA-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.56
Rot. Bonds1

About quinoxalin-2-yl acetate

quinoxalin-2-yl acetate (PubChem CID 69347741) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is quinoxalin-2-yl acetate.

Molecular Properties

Compound Namequinoxalin-2-yl acetate
PubChem CID69347741
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Namequinoxalin-2-yl acetate
SMILESCC(=O)Oc1cnc2ccccc2n1
InChIInChI=1S/C10H8N2O2/c1-7(13)14-10-6-11-8-4-2-3-5-9(8)12-10/h2-6H,1H3
InChIKeyAQPZAAXNHAOLTA-UHFFFAOYSA-N
XLogP1.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of quinoxalin-2-yl acetate?
The IUPAC name of quinoxalin-2-yl acetate (CID 69347741) is quinoxalin-2-yl acetate.
What is the SMILES notation for quinoxalin-2-yl acetate?
The canonical SMILES for quinoxalin-2-yl acetate is CC(=O)Oc1cnc2ccccc2n1.
What is the InChIKey of quinoxalin-2-yl acetate?
The InChIKey is AQPZAAXNHAOLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-7(13)14-10-6-11-8-4-2-3-5-9(8)12-10/h2-6H,1H3.
What are the key properties of quinoxalin-2-yl acetate?
quinoxalin-2-yl acetate has a molecular weight of 188.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-2-yl acetate is sourced from PubChem (CID 69347741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).