2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol

C12H16N4O2 — CID 2728525

IUPAC2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2nc1NCCO
InChIInChI=1S/C12H16N4O2/c17-7-5-13-11-12(14-6-8-18)16-10-4-2-1-3-9(10)15-11/h1-4,17-18H,5-8H2,(H,13,15)(H,14,16)
InChIKeyDKMXDUJMIFEWAH-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.44
Rot. Bonds6

About 2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol

2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol (PubChem CID 2728525) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol
PubChem CID2728525
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2nc1NCCO
InChIInChI=1S/C12H16N4O2/c17-7-5-13-11-12(14-6-8-18)16-10-4-2-1-3-9(10)15-11/h1-4,17-18H,5-8H2,(H,13,15)(H,14,16)
InChIKeyDKMXDUJMIFEWAH-UHFFFAOYSA-N
XLogP0.44
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol?
The IUPAC name of 2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol (CID 2728525) is 2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol is OCCNc1nc2ccccc2nc1NCCO.
What is the InChIKey of 2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol?
The InChIKey is DKMXDUJMIFEWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-7-5-13-11-12(14-6-8-18)16-10-4-2-1-3-9(10)15-11/h1-4,17-18H,5-8H2,(H,13,15)(H,14,16).
What are the key properties of 2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol?
2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol has a molecular weight of 248.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]amino]ethanol is sourced from PubChem (CID 2728525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).