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

C19H20N4O3S — CID 2014335

IUPAC3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline
SMILESCCCN1CN(S(=O)(=O)c2ccc(OC)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C19H20N4O3S/c1-3-12-22-13-23(27(24,25)15-10-8-14(26-2)9-11-15)19-18(22)20-16-6-4-5-7-17(16)21-19/h4-11H,3,12-13H2,1-2H3
InChIKeyOXZLFJWFRNGELU-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.02
Rot. Bonds5

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

3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2014335) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline
PubChem CID2014335
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline
SMILESCCCN1CN(S(=O)(=O)c2ccc(OC)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C19H20N4O3S/c1-3-12-22-13-23(27(24,25)15-10-8-14(26-2)9-11-15)19-18(22)20-16-6-4-5-7-17(16)21-19/h4-11H,3,12-13H2,1-2H3
InChIKeyOXZLFJWFRNGELU-UHFFFAOYSA-N
XLogP3.02
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 7462909
3-(4-chlorophenyl)sulfonyl-1-(3-propan-2-yloxypropyl)-2H-imidazo[4,5-b]quinoxaline
CID 2018067
3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline
CID 2332798
1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 7528908
2-(4-methoxyphenyl)-3-propylimidazo[4,5-b]quinoxaline
CID 663511
1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole
CID 110669474
4-[3-[4-(2-oxopropyl)phenyl]sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]benzoic acid
CID 58274274
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230
(2R)-2-(4-methoxyphenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
CID 40852282
4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021048
3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 132581058

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline (CID 2014335) is 3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline is CCCN1CN(S(=O)(=O)c2ccc(OC)cc2)c2nc3ccccc3nc21.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is OXZLFJWFRNGELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-3-12-22-13-23(27(24,25)15-10-8-14(26-2)9-11-15)19-18(22)20-16-6-4-5-7-17(16)21-19/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline?
3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 384.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2014335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).