2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline

C17H20N2O3 — CID 71456162

IUPAC2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline
SMILESCOc1cc2ncc(O[C@@H]3CC4CCC3C4)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/t10?,11?,14-/m1/s1
InChIKeyJXHVPOHWUDYYJU-QIMFLAQGSA-N
MW300.36 g/mol
LogP3.21
Rot. Bonds4

About 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline

2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline (PubChem CID 71456162) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline.

Molecular Properties

Compound Name2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline
PubChem CID71456162
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline
SMILESCOc1cc2ncc(O[C@@H]3CC4CCC3C4)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/t10?,11?,14-/m1/s1
InChIKeyJXHVPOHWUDYYJU-QIMFLAQGSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline?
The IUPAC name of 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline (CID 71456162) is 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline.
What is the SMILES notation for 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline?
The canonical SMILES for 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline is COc1cc2ncc(O[C@@H]3CC4CCC3C4)nc2cc1OC.
What is the InChIKey of 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline?
The InChIKey is JXHVPOHWUDYYJU-QIMFLAQGSA-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/t10?,11?,14-/m1/s1.
What are the key properties of 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline?
2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-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-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6,7-dimethoxyquinoxaline is sourced from PubChem (CID 71456162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).