2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline

C17H20N2O3 — CID 22573152

IUPAC2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline
SMILESCOc1cc2ncc(OC3CC4CCC3C4)nc2cc1OC
InChIInChI=1S/C17H20N2O3/c1-20-15-7-12-13(8-16(15)21-2)19-17(9-18-12)22-14-6-10-3-4-11(14)5-10/h7-11,14H,3-6H2,1-2H3
InChIKeyJXHVPOHWUDYYJU-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.21
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline

2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline (PubChem CID 22573152) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline
PubChem CID22573152
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline
SMILESCOc1cc2ncc(OC3CC4CCC3C4)nc2cc1OC
InChIInChI=1S/C17H20N2O3/c1-20-15-7-12-13(8-16(15)21-2)19-17(9-18-12)22-14-6-10-3-4-11(14)5-10/h7-11,14H,3-6H2,1-2H3
InChIKeyJXHVPOHWUDYYJU-UHFFFAOYSA-N
XLogP3.21
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline (CID 22573152) is 2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline is COc1cc2ncc(OC3CC4CCC3C4)nc2cc1OC.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline?
The InChIKey is JXHVPOHWUDYYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-20-15-7-12-13(8-16(15)21-2)19-17(9-18-12)22-14-6-10-3-4-11(14)5-10/h7-11,14H,3-6H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline?
2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline has a molecular weight of 300.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyloxy)-6,7-dimethoxyquinoxaline is sourced from PubChem (CID 22573152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).