2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline

C24H22N2O4S — CID 148501353

IUPAC2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline
SMILESCOc1ccc(-c2nc3ccc(CS(C)(=O)=O)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22N2O4S/c1-29-19-9-5-17(6-10-19)23-24(18-7-11-20(30-2)12-8-18)26-22-14-16(15-31(3,27)28)4-13-21(22)25-23/h4-14H,15H2,1-3H3
InChIKeyMKSCVEHQXMCSOF-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.53
Rot. Bonds6

About 2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline

2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline (PubChem CID 148501353) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline
PubChem CID148501353
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline
SMILESCOc1ccc(-c2nc3ccc(CS(C)(=O)=O)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22N2O4S/c1-29-19-9-5-17(6-10-19)23-24(18-7-11-20(30-2)12-8-18)26-22-14-16(15-31(3,27)28)4-13-21(22)25-23/h4-14H,15H2,1-3H3
InChIKeyMKSCVEHQXMCSOF-UHFFFAOYSA-N
XLogP4.53
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide
CID 70654333
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
[4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenyl]methanol
CID 162475875
2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620164
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline
CID 121258930
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane
CID 145053980
1-methoxy-4-[[4-[4-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]phenyl]phenyl]sulfonylmethyl]benzene
CID 160857986
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
[2-(4-bromophenyl)-2-oxoethyl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23831685
5-methoxycyclobuta[b]quinoxaline-1,2-diol
CID 146025256
6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline
CID 3106562

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline?
The IUPAC name of 2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline (CID 148501353) is 2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline is COc1ccc(-c2nc3ccc(CS(C)(=O)=O)cc3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline?
The InChIKey is MKSCVEHQXMCSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-29-19-9-5-17(6-10-19)23-24(18-7-11-20(30-2)12-8-18)26-22-14-16(15-31(3,27)28)4-13-21(22)25-23/h4-14H,15H2,1-3H3.
What are the key properties of 2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline?
2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline has a molecular weight of 434.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline is sourced from PubChem (CID 148501353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).