3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine

C13H18N4O — CID 102987287

IUPAC3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine
SMILESCCOC(C)CNc1nc2ccccc2nc1N
InChIInChI=1S/C13H18N4O/c1-3-18-9(2)8-15-13-12(14)16-10-6-4-5-7-11(10)17-13/h4-7,9H,3,8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyZDLHAFUSKWPYDU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.05
Rot. Bonds5

About 3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine

3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine (PubChem CID 102987287) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine
PubChem CID102987287
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine
SMILESCCOC(C)CNc1nc2ccccc2nc1N
InChIInChI=1S/C13H18N4O/c1-3-18-9(2)8-15-13-12(14)16-10-6-4-5-7-11(10)17-13/h4-7,9H,3,8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyZDLHAFUSKWPYDU-UHFFFAOYSA-N
XLogP2.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine (CID 102987287) is 3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine is CCOC(C)CNc1nc2ccccc2nc1N.
What is the InChIKey of 3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine?
The InChIKey is ZDLHAFUSKWPYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-18-9(2)8-15-13-12(14)16-10-6-4-5-7-11(10)17-13/h4-7,9H,3,8H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine?
3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102987287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).