2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline

C18H16N4O2 — CID 663543

IUPAC2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline
SMILESc1coc(-c2nc3nc4ccccc4nc3n2CC2CCCO2)c1
InChIInChI=1S/C18H16N4O2/c1-2-7-14-13(6-1)19-16-18(20-14)22(11-12-5-3-9-23-12)17(21-16)15-8-4-10-24-15/h1-2,4,6-8,10,12H,3,5,9,11H2
InChIKeyCJYOGHXSGNXVLB-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.42
Rot. Bonds3

About 2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline

2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline (PubChem CID 663543) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline
PubChem CID663543
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline
SMILESc1coc(-c2nc3nc4ccccc4nc3n2CC2CCCO2)c1
InChIInChI=1S/C18H16N4O2/c1-2-7-14-13(6-1)19-16-18(20-14)22(11-12-5-3-9-23-12)17(21-16)15-8-4-10-24-15/h1-2,4,6-8,10,12H,3,5,9,11H2
InChIKeyCJYOGHXSGNXVLB-UHFFFAOYSA-N
XLogP3.42
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline (CID 663543) is 2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline is c1coc(-c2nc3nc4ccccc4nc3n2CC2CCCO2)c1.
What is the InChIKey of 2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline?
The InChIKey is CJYOGHXSGNXVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-7-14-13(6-1)19-16-18(20-14)22(11-12-5-3-9-23-12)17(21-16)15-8-4-10-24-15/h1-2,4,6-8,10,12H,3,5,9,11H2.
What are the key properties of 2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline?
2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline has a molecular weight of 320.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 663543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).