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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Related Compounds

4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline
CID 103180257
4-ethyl-2,3-dihydro-1H-quinoxaline
CID 3056887
2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol
CID 64851241
4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline
CID 82092614
4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
CID 54961069
5-heptyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 64851622
4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline
CID 28796776
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 106460180
4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 60811841
4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline
CID 60922941
N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine
CID 106449014
2-(3,4-dihydro-2H-quinoxalin-1-yl)-N-ethyl-N-phenylacetamide
CID 83510562

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).