4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline

C13H20N2O — CID 106453436

IUPAC4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline
SMILESCCCOCCN1CCNc2ccccc21
InChIInChI=1S/C13H20N2O/c1-2-10-16-11-9-15-8-7-14-12-5-3-4-6-13(12)15/h3-6,14H,2,7-11H2,1H3
InChIKeySJKGLNXOKNGYED-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.35
Rot. Bonds5

About 4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline

4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 106453436) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline
PubChem CID106453436
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline
SMILESCCCOCCN1CCNc2ccccc21
InChIInChI=1S/C13H20N2O/c1-2-10-16-11-9-15-8-7-14-12-5-3-4-6-13(12)15/h3-6,14H,2,7-11H2,1H3
InChIKeySJKGLNXOKNGYED-UHFFFAOYSA-N
XLogP2.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline (CID 106453436) is 4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline is CCCOCCN1CCNc2ccccc21.
What is the InChIKey of 4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is SJKGLNXOKNGYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-10-16-11-9-15-8-7-14-12-5-3-4-6-13(12)15/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline?
4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 220.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 106453436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).