6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline

C13H20N2O3 — CID 83002078

IUPAC6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline
SMILESCOCCN1CCNc2cc(OC)c(OC)cc21
InChIInChI=1S/C13H20N2O3/c1-16-7-6-15-5-4-14-10-8-12(17-2)13(18-3)9-11(10)15/h8-9,14H,4-7H2,1-3H3
InChIKeyQAHRGZAKQJIFFU-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.58
Rot. Bonds5

About 6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline

6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 83002078) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline
PubChem CID83002078
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline
SMILESCOCCN1CCNc2cc(OC)c(OC)cc21
InChIInChI=1S/C13H20N2O3/c1-16-7-6-15-5-4-14-10-8-12(17-2)13(18-3)9-11(10)15/h8-9,14H,4-7H2,1-3H3
InChIKeyQAHRGZAKQJIFFU-UHFFFAOYSA-N
XLogP1.58
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline (CID 83002078) is 6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline is COCCN1CCNc2cc(OC)c(OC)cc21.
What is the InChIKey of 6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is QAHRGZAKQJIFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-16-7-6-15-5-4-14-10-8-12(17-2)13(18-3)9-11(10)15/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline?
6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 252.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 83002078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).