3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline

C22H20N4O3S — CID 2007309

IUPAC3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline
SMILESCc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1C
InChIInChI=1S/C22H20N4O3S/c1-15-9-10-18(12-16(15)2)30(27,28)26-14-25(13-17-6-5-11-29-17)21-22(26)24-20-8-4-3-7-19(20)23-21/h3-12H,13-14H2,1-2H3
InChIKeyOZYGAPXJAKOFGX-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.01
Rot. Bonds4

About 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline

3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2007309) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline
PubChem CID2007309
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline
SMILESCc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1C
InChIInChI=1S/C22H20N4O3S/c1-15-9-10-18(12-16(15)2)30(27,28)26-14-25(13-17-6-5-11-29-17)21-22(26)24-20-8-4-3-7-19(20)23-21/h3-12H,13-14H2,1-2H3
InChIKeyOZYGAPXJAKOFGX-UHFFFAOYSA-N
XLogP4.01
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline (CID 2007309) is 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline is Cc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is OZYGAPXJAKOFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-15-9-10-18(12-16(15)2)30(27,28)26-14-25(13-17-6-5-11-29-17)21-22(26)24-20-8-4-3-7-19(20)23-21/h3-12H,13-14H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline?
3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 420.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfonyl-1-(furan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2007309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).