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

C25H24N4O4S — CID 5218300

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccc(CCN2CN(S(=O)(=O)c3ccc(OC)cc3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C25H24N4O4S/c1-32-19-9-7-18(8-10-19)15-16-28-17-29(34(30,31)21-13-11-20(33-2)12-14-21)25-24(28)26-22-5-3-4-6-23(22)27-25/h3-14H,15-17H2,1-2H3
InChIKeyZMDDNNNFGPHJAA-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.86
Rot. Bonds7

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

1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (PubChem CID 5218300) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
PubChem CID5218300
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccc(CCN2CN(S(=O)(=O)c3ccc(OC)cc3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C25H24N4O4S/c1-32-19-9-7-18(8-10-19)15-16-28-17-29(34(30,31)21-13-11-20(33-2)12-14-21)25-24(28)26-22-5-3-4-6-23(22)27-25/h3-14H,15-17H2,1-2H3
InChIKeyZMDDNNNFGPHJAA-UHFFFAOYSA-N
XLogP3.86
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (CID 5218300) is 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is COc1ccc(CCN2CN(S(=O)(=O)c3ccc(OC)cc3)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is ZMDDNNNFGPHJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-32-19-9-7-18(8-10-19)15-16-28-17-29(34(30,31)21-13-11-20(33-2)12-14-21)25-24(28)26-22-5-3-4-6-23(22)27-25/h3-14H,15-17H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 476.56 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 5218300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).