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

C21H18N4O4S — CID 663429

IUPAC1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C21H18N4O4S/c1-28-15-8-10-17(11-9-15)30(26,27)25-14-24(13-16-5-4-12-29-16)20-21(25)23-19-7-3-2-6-18(19)22-20/h2-12H,13-14H2,1H3
InChIKeySAZDSSXYJMGVCH-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.40
Rot. Bonds5

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

1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (PubChem CID 663429) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
PubChem CID663429
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Name1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C21H18N4O4S/c1-28-15-8-10-17(11-9-15)30(26,27)25-14-24(13-16-5-4-12-29-16)20-21(25)23-19-7-3-2-6-18(19)22-20/h2-12H,13-14H2,1H3
InChIKeySAZDSSXYJMGVCH-UHFFFAOYSA-N
XLogP3.40
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone
CID 2116911
1-(furan-2-ylmethyl)-3-tosyl-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 662757
1-(furan-2-ylmethyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 663121
N-[3-(2-furanylmethylamino)-2-quinoxalinyl]-3-methylbenzenesulfonamide
CID 663528
2-(furan-2-yl)-1-((tetrahydrofuran-2-yl)methyl)-1H-imidazo[4,5-b]quinoxaline
CID 663543
2-(Furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline
CID 663645
N-(3-((furan-2-ylmethyl)amino)quinoxalin-2-yl)-3,4-dimethylbenzenesulfonamide
CID 664753
1-(Furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 666651
N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide
CID 667371
1-(3,4-Dimethyl-benzenesulfonyl)-3-furan-2-ylmethyl-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2007309
1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 2009470
1-(furan-2-ylmethyl)-3-[(3-methylphenyl)sulfonyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2015810

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (CID 663429) is 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is COc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is SAZDSSXYJMGVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-28-15-8-10-17(11-9-15)30(26,27)25-14-24(13-16-5-4-12-29-16)20-21(25)23-19-7-3-2-6-18(19)22-20/h2-12H,13-14H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 422.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 663429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).