4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline

C14H22N2O2 — CID 103180257

IUPAC4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline
SMILESCOCCCOCCN1CCNc2ccccc21
InChIInChI=1S/C14H22N2O2/c1-17-10-4-11-18-12-9-16-8-7-15-13-5-2-3-6-14(13)16/h2-3,5-6,15H,4,7-12H2,1H3
InChIKeyVWDZBOOSIDXQDI-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.97
Rot. Bonds7

About 4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline

4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline (PubChem CID 103180257) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline
PubChem CID103180257
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline
SMILESCOCCCOCCN1CCNc2ccccc21
InChIInChI=1S/C14H22N2O2/c1-17-10-4-11-18-12-9-16-8-7-15-13-5-2-3-6-14(13)16/h2-3,5-6,15H,4,7-12H2,1H3
InChIKeyVWDZBOOSIDXQDI-UHFFFAOYSA-N
XLogP1.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline (CID 103180257) is 4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline is COCCCOCCN1CCNc2ccccc21.
What is the InChIKey of 4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline?
The InChIKey is VWDZBOOSIDXQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-10-4-11-18-12-9-16-8-7-15-13-5-2-3-6-14(13)16/h2-3,5-6,15H,4,7-12H2,1H3.
What are the key properties of 4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline?
4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline has a molecular weight of 250.34 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 103180257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).