(1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol

C11H12N2O3 — CID 102524344

IUPAC(1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol
SMILESOC[C@@H](O)[C@H](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/t10-,11-/m1/s1
InChIKeyWIQQTNBIIGDESV-GHMZBOCLSA-N
MW220.23 g/mol
LogP0.02
Rot. Bonds3

About (1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol

(1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol (PubChem CID 102524344) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol
PubChem CID102524344
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol
SMILESOC[C@@H](O)[C@H](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/t10-,11-/m1/s1
InChIKeyWIQQTNBIIGDESV-GHMZBOCLSA-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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Related Compounds

1-quinoxalin-2-yl-4-sulfanylbutane-1,2-diol
CID 171874293
1-quinoxalin-2-ylbut-3-yn-1-ol
CID 86630247
(2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol
CID 107357767
3-quinoxalin-2-ylbutan-2-one
CID 63196763
(1-propylpyrazol-4-yl)-quinoxalin-2-ylmethanol
CID 107357558
2-(3-fluorophenyl)-1-quinoxalin-2-ylethanol
CID 107357548
(5-bromo-2-fluorophenyl)-quinoxalin-2-ylmethanol
CID 107357691
(4-methoxyphenyl)-quinoxalin-2-ylmethanol
CID 107357547
1-quinoxalin-2-yl-1-sulfanylpropan-2-one
CID 175599702
2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356898
cyclohexen-1-yl(quinoxalin-2-yl)methanol
CID 107357780
2-(1-chloropentan-2-yl)quinoxaline
CID 174360163

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol?
The IUPAC name of (1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol (CID 102524344) is (1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol.
What is the SMILES notation for (1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol?
The canonical SMILES for (1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol is OC[C@@H](O)[C@H](O)c1cnc2ccccc2n1.
What is the InChIKey of (1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol?
The InChIKey is WIQQTNBIIGDESV-GHMZBOCLSA-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/t10-,11-/m1/s1.
What are the key properties of (1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol?
(1R,2R)-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 (1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol is sourced from PubChem (CID 102524344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).