3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline

C18H18N4O3S — CID 664837

IUPAC3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
SMILESCOCCN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C18H18N4O3S/c1-25-12-11-21-13-22(26(23,24)14-7-3-2-4-8-14)18-17(21)19-15-9-5-6-10-16(15)20-18/h2-10H,11-13H2,1H3
InChIKeyMCQFAYHMZZGJOB-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.25
Rot. Bonds5

About 3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline

3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline (PubChem CID 664837) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
PubChem CID664837
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
SMILESCOCCN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C18H18N4O3S/c1-25-12-11-21-13-22(26(23,24)14-7-3-2-4-8-14)18-17(21)19-15-9-5-6-10-16(15)20-18/h2-10H,11-13H2,1H3
InChIKeyMCQFAYHMZZGJOB-UHFFFAOYSA-N
XLogP2.25
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline (CID 664837) is 3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline is COCCN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21.
What is the InChIKey of 3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is MCQFAYHMZZGJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-25-12-11-21-13-22(26(23,24)14-7-3-2-4-8-14)18-17(21)19-15-9-5-6-10-16(15)20-18/h2-10H,11-13H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline?
3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 370.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 664837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).