1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline

C18H18N4O3S2 — CID 664103

IUPAC1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1cccs1)N1CN(CC2CCCO2)c2nc3ccccc3nc21
InChIInChI=1S/C18H18N4O3S2/c23-27(24,16-8-4-10-26-16)22-12-21(11-13-5-3-9-25-13)17-18(22)20-15-7-2-1-6-14(15)19-17/h1-2,4,6-8,10,13H,3,5,9,11-12H2
InChIKeyUTPHZKUKMSLFFH-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.84
Rot. Bonds4

About 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline

1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline (PubChem CID 664103) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
PubChem CID664103
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1cccs1)N1CN(CC2CCCO2)c2nc3ccccc3nc21
InChIInChI=1S/C18H18N4O3S2/c23-27(24,16-8-4-10-26-16)22-12-21(11-13-5-3-9-25-13)17-18(22)20-15-7-2-1-6-14(15)19-17/h1-2,4,6-8,10,13H,3,5,9,11-12H2
InChIKeyUTPHZKUKMSLFFH-UHFFFAOYSA-N
XLogP2.84
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 663384
1-(Oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 663725
3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
CID 664837
2-(3-Pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile
CID 667182
1-(3-Isopropoxy-propyl)-3-(thiophene-2-sulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2005962
1-[(4-methylphenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 2007451
1-benzyl-3-(thiophen-2-ylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2011053
1-(3-methylbutyl)-3-(thiophen-2-ylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2017731
1-cyclohexyl-3-(thiophen-2-ylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2022351
1-((4-chlorophenyl)sulfonyl)-3-((tetrahydrofuran-2-yl)methyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 3312244
1-((Tetrahydrofuran-2-yl)methyl)-3-tosyl-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 4434150
1-(phenylsulfonyl)-3-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 5110043

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline (CID 664103) is 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline is O=S(=O)(c1cccs1)N1CN(CC2CCCO2)c2nc3ccccc3nc21.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is UTPHZKUKMSLFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c23-27(24,16-8-4-10-26-16)22-12-21(11-13-5-3-9-25-13)17-18(22)20-15-7-2-1-6-14(15)19-17/h1-2,4,6-8,10,13H,3,5,9,11-12H2.
What are the key properties of 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 402.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 664103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).