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

C20H13ClN4O — CID 661870

IUPAC2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline
SMILESClc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1
InChIInChI=1S/C20H13ClN4O/c21-14-9-7-13(8-10-14)19-24-18-20(25(19)12-15-4-3-11-26-15)23-17-6-2-1-5-16(17)22-18/h1-11H,12H2
InChIKeyZSDWKLSARSJGSZ-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.94
Rot. Bonds3

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

2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline (PubChem CID 661870) has the molecular formula C20H13ClN4O and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline
PubChem CID661870
Molecular FormulaC20H13ClN4O
Molecular Weight360.80 g/mol
Exact Mass360.08
IUPAC Name2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline
SMILESClc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1
InChIInChI=1S/C20H13ClN4O/c21-14-9-7-13(8-10-14)19-24-18-20(25(19)12-15-4-3-11-26-15)23-17-6-2-1-5-16(17)22-18/h1-11H,12H2
InChIKeyZSDWKLSARSJGSZ-UHFFFAOYSA-N
XLogP4.94
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline (CID 661870) is 2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline is Clc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline?
The InChIKey is ZSDWKLSARSJGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O/c21-14-9-7-13(8-10-14)19-24-18-20(25(19)12-15-4-3-11-26-15)23-17-6-2-1-5-16(17)22-18/h1-11H,12H2.
What are the key properties of 2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline?
2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline has a molecular weight of 360.80 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(furan-2-ylmethyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 661870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).