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

C14H22N2O2 — CID 115318465

IUPAC4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCOCCOCCN1c2ccccc2NCC1C
InChIInChI=1S/C14H22N2O2/c1-12-11-15-13-5-3-4-6-14(13)16(12)7-8-18-10-9-17-2/h3-6,12,15H,7-11H2,1-2H3
InChIKeyUTOIDKHYVZVTQY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.97
Rot. Bonds6

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

4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 115318465) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID115318465
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCOCCOCCN1c2ccccc2NCC1C
InChIInChI=1S/C14H22N2O2/c1-12-11-15-13-5-3-4-6-14(13)16(12)7-8-18-10-9-17-2/h3-6,12,15H,7-11H2,1-2H3
InChIKeyUTOIDKHYVZVTQY-UHFFFAOYSA-N
XLogP1.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline (CID 115318465) is 4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline is COCCOCCN1c2ccccc2NCC1C.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is UTOIDKHYVZVTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12-11-15-13-5-3-4-6-14(13)16(12)7-8-18-10-9-17-2/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 250.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115318465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).