2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline

C18H24N2O4 — CID 70236350

IUPAC2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline
SMILESCCOC1CCC(Oc2cnc3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C18H24N2O4/c1-4-23-12-5-7-13(8-6-12)24-18-11-19-14-9-16(21-2)17(22-3)10-15(14)20-18/h9-13H,4-8H2,1-3H3
InChIKeyPIHKLBXFLJPQMZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.37
Rot. Bonds6

About 2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline

2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline (PubChem CID 70236350) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline.

Molecular Properties

Compound Name2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline
PubChem CID70236350
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline
SMILESCCOC1CCC(Oc2cnc3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C18H24N2O4/c1-4-23-12-5-7-13(8-6-12)24-18-11-19-14-9-16(21-2)17(22-3)10-15(14)20-18/h9-13H,4-8H2,1-3H3
InChIKeyPIHKLBXFLJPQMZ-UHFFFAOYSA-N
XLogP3.37
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline?
The IUPAC name of 2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline (CID 70236350) is 2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline.
What is the SMILES notation for 2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline?
The canonical SMILES for 2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline is CCOC1CCC(Oc2cnc3cc(OC)c(OC)cc3n2)CC1.
What is the InChIKey of 2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline?
The InChIKey is PIHKLBXFLJPQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-23-12-5-7-13(8-6-12)24-18-11-19-14-9-16(21-2)17(22-3)10-15(14)20-18/h9-13H,4-8H2,1-3H3.
What are the key properties of 2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline?
2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline has a molecular weight of 332.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycyclohexyl)oxy-6,7-dimethoxyquinoxaline is sourced from PubChem (CID 70236350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).