1-quinoxalin-2-ylpropane-1,2,3-triol

C11H12N2O3 — CID 86062388

IUPAC1-quinoxalin-2-ylpropane-1,2,3-triol
SMILESOCC(O)C(O)c1cnc2ccccc2n1
InChIInChI=1S/C11H12N2O3/c14-6-10(15)11(16)9-5-12-7-3-1-2-4-8(7)13-9/h1-5,10-11,14-16H,6H2
InChIKeyWIQQTNBIIGDESV-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.02
Rot. Bonds3

About 1-quinoxalin-2-ylpropane-1,2,3-triol

1-quinoxalin-2-ylpropane-1,2,3-triol (PubChem CID 86062388) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-quinoxalin-2-ylpropane-1,2,3-triol.

Molecular Properties

Compound Name1-quinoxalin-2-ylpropane-1,2,3-triol
PubChem CID86062388
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-quinoxalin-2-ylpropane-1,2,3-triol
SMILESOCC(O)C(O)c1cnc2ccccc2n1
InChIInChI=1S/C11H12N2O3/c14-6-10(15)11(16)9-5-12-7-3-1-2-4-8(7)13-9/h1-5,10-11,14-16H,6H2
InChIKeyWIQQTNBIIGDESV-UHFFFAOYSA-N
XLogP0.02
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-2-ylpropane-1,2,3-triol?
The IUPAC name of 1-quinoxalin-2-ylpropane-1,2,3-triol (CID 86062388) is 1-quinoxalin-2-ylpropane-1,2,3-triol.
What is the SMILES notation for 1-quinoxalin-2-ylpropane-1,2,3-triol?
The canonical SMILES for 1-quinoxalin-2-ylpropane-1,2,3-triol is OCC(O)C(O)c1cnc2ccccc2n1.
What is the InChIKey of 1-quinoxalin-2-ylpropane-1,2,3-triol?
The InChIKey is WIQQTNBIIGDESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-6-10(15)11(16)9-5-12-7-3-1-2-4-8(7)13-9/h1-5,10-11,14-16H,6H2.
What are the key properties of 1-quinoxalin-2-ylpropane-1,2,3-triol?
1-quinoxalin-2-ylpropane-1,2,3-triol has a molecular weight of 220.23 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-2-ylpropane-1,2,3-triol is sourced from PubChem (CID 86062388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).