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

C12H14N2O2 — CID 86074847

IUPAC1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol
SMILESCCc1nc2ccccc2nc1C(O)CO
InChIInChI=1S/C12H14N2O2/c1-2-8-12(11(16)7-15)14-10-6-4-3-5-9(10)13-8/h3-6,11,15-16H,2,7H2,1H3
InChIKeyPLOJJNIMWTXHDE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.22
Rot. Bonds3

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

1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol (PubChem CID 86074847) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol
PubChem CID86074847
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol
SMILESCCc1nc2ccccc2nc1C(O)CO
InChIInChI=1S/C12H14N2O2/c1-2-8-12(11(16)7-15)14-10-6-4-3-5-9(10)13-8/h3-6,11,15-16H,2,7H2,1H3
InChIKeyPLOJJNIMWTXHDE-UHFFFAOYSA-N
XLogP1.22
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol (CID 86074847) is 1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol is CCc1nc2ccccc2nc1C(O)CO.
What is the InChIKey of 1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol?
The InChIKey is PLOJJNIMWTXHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-8-12(11(16)7-15)14-10-6-4-3-5-9(10)13-8/h3-6,11,15-16H,2,7H2,1H3.
What are the key properties of 1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol?
1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol has a molecular weight of 218.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylquinoxalin-2-yl)ethane-1,2-diol is sourced from PubChem (CID 86074847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).