3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline

C21H14N4O3 — CID 661951

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
SMILESc1coc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C21H14N4O3/c1-2-5-15-14(4-1)22-19-21(23-15)25(20(24-19)17-6-3-9-26-17)13-7-8-16-18(12-13)28-11-10-27-16/h1-9,12H,10-11H2
InChIKeyYCICJPMNSCVKFU-UHFFFAOYSA-N
MW370.37 g/mol
LogP4.00
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline (PubChem CID 661951) has the molecular formula C21H14N4O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
PubChem CID661951
Molecular FormulaC21H14N4O3
Molecular Weight370.37 g/mol
Exact Mass370.11
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
SMILESc1coc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C21H14N4O3/c1-2-5-15-14(4-1)22-19-21(23-15)25(20(24-19)17-6-3-9-26-17)13-7-8-16-18(12-13)28-11-10-27-16/h1-9,12H,10-11H2
InChIKeyYCICJPMNSCVKFU-UHFFFAOYSA-N
XLogP4.00
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline (CID 661951) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline is c1coc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The InChIKey is YCICJPMNSCVKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O3/c1-2-5-15-14(4-1)22-19-21(23-15)25(20(24-19)17-6-3-9-26-17)13-7-8-16-18(12-13)28-11-10-27-16/h1-9,12H,10-11H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline has a molecular weight of 370.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 661951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).