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

C21H18N4O3S — CID 2015810

IUPAC1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCc1cccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)c1
InChIInChI=1S/C21H18N4O3S/c1-15-6-4-8-17(12-15)29(26,27)25-14-24(13-16-7-5-11-28-16)20-21(25)23-19-10-3-2-9-18(19)22-20/h2-12H,13-14H2,1H3
InChIKeyLLIBIBDRVLZXIJ-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.70
Rot. Bonds4

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

1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2015810) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
PubChem CID2015810
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCc1cccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)c1
InChIInChI=1S/C21H18N4O3S/c1-15-6-4-8-17(12-15)29(26,27)25-14-24(13-16-7-5-11-28-16)20-21(25)23-19-10-3-2-9-18(19)22-20/h2-12H,13-14H2,1H3
InChIKeyLLIBIBDRVLZXIJ-UHFFFAOYSA-N
XLogP3.70
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (CID 2015810) is 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is Cc1cccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is LLIBIBDRVLZXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-15-6-4-8-17(12-15)29(26,27)25-14-24(13-16-7-5-11-28-16)20-21(25)23-19-10-3-2-9-18(19)22-20/h2-12H,13-14H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 406.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2015810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).