3-quinoxalin-2-ylpropane-1,2-diol

C11H12N2O2 — CID 13181291

IUPAC3-quinoxalin-2-ylpropane-1,2-diol
SMILESOCC(O)Cc1cnc2ccccc2n1
InChIInChI=1S/C11H12N2O2/c14-7-9(15)5-8-6-12-10-3-1-2-4-11(10)13-8/h1-4,6,9,14-15H,5,7H2
InChIKeyBCVPBVHFMBXVQQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.53
Rot. Bonds3

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

3-quinoxalin-2-ylpropane-1,2-diol (PubChem CID 13181291) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-quinoxalin-2-ylpropane-1,2-diol.

Molecular Properties

Compound Name3-quinoxalin-2-ylpropane-1,2-diol
PubChem CID13181291
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-quinoxalin-2-ylpropane-1,2-diol
SMILESOCC(O)Cc1cnc2ccccc2n1
InChIInChI=1S/C11H12N2O2/c14-7-9(15)5-8-6-12-10-3-1-2-4-11(10)13-8/h1-4,6,9,14-15H,5,7H2
InChIKeyBCVPBVHFMBXVQQ-UHFFFAOYSA-N
XLogP0.53
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-quinoxalin-2-ylpropane-1,2-diol?
The IUPAC name of 3-quinoxalin-2-ylpropane-1,2-diol (CID 13181291) is 3-quinoxalin-2-ylpropane-1,2-diol.
What is the SMILES notation for 3-quinoxalin-2-ylpropane-1,2-diol?
The canonical SMILES for 3-quinoxalin-2-ylpropane-1,2-diol is OCC(O)Cc1cnc2ccccc2n1.
What is the InChIKey of 3-quinoxalin-2-ylpropane-1,2-diol?
The InChIKey is BCVPBVHFMBXVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-7-9(15)5-8-6-12-10-3-1-2-4-11(10)13-8/h1-4,6,9,14-15H,5,7H2.
What are the key properties of 3-quinoxalin-2-ylpropane-1,2-diol?
3-quinoxalin-2-ylpropane-1,2-diol has a molecular weight of 204.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinoxalin-2-ylpropane-1,2-diol is sourced from PubChem (CID 13181291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).