1-(3-methylquinoxalin-2-yl)ethane-1,2-diol

C11H12N2O2 — CID 14338460

IUPAC1-(3-methylquinoxalin-2-yl)ethane-1,2-diol
SMILESCc1nc2ccccc2nc1C(O)CO
InChIInChI=1S/C11H12N2O2/c1-7-11(10(15)6-14)13-9-5-3-2-4-8(9)12-7/h2-5,10,14-15H,6H2,1H3
InChIKeyQBUKUSLUHOGZCT-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.96
Rot. Bonds2

About 1-(3-methylquinoxalin-2-yl)ethane-1,2-diol

1-(3-methylquinoxalin-2-yl)ethane-1,2-diol (PubChem CID 14338460) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(3-methylquinoxalin-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3-methylquinoxalin-2-yl)ethane-1,2-diol
PubChem CID14338460
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(3-methylquinoxalin-2-yl)ethane-1,2-diol
SMILESCc1nc2ccccc2nc1C(O)CO
InChIInChI=1S/C11H12N2O2/c1-7-11(10(15)6-14)13-9-5-3-2-4-8(9)12-7/h2-5,10,14-15H,6H2,1H3
InChIKeyQBUKUSLUHOGZCT-UHFFFAOYSA-N
XLogP0.96
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylquinoxalin-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(3-methylquinoxalin-2-yl)ethane-1,2-diol (CID 14338460) is 1-(3-methylquinoxalin-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(3-methylquinoxalin-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(3-methylquinoxalin-2-yl)ethane-1,2-diol is Cc1nc2ccccc2nc1C(O)CO.
What is the InChIKey of 1-(3-methylquinoxalin-2-yl)ethane-1,2-diol?
The InChIKey is QBUKUSLUHOGZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-11(10(15)6-14)13-9-5-3-2-4-8(9)12-7/h2-5,10,14-15H,6H2,1H3.
What are the key properties of 1-(3-methylquinoxalin-2-yl)ethane-1,2-diol?
1-(3-methylquinoxalin-2-yl)ethane-1,2-diol has a molecular weight of 204.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylquinoxalin-2-yl)ethane-1,2-diol is sourced from PubChem (CID 14338460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).