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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline
CID 106453436
2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol
CID 64851241
4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
CID 54961069
4-ethyl-2,3-dihydro-1H-quinoxaline
CID 3056887
4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline
CID 82092614
4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline
CID 28796776
1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 103181381
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one
CID 104566166
4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine
CID 163276565
6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline
CID 83002078
4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 60811841
5-heptyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 64851622

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).