3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline

C22H24N4O3S — CID 2018568

IUPAC3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline
SMILESCc1ccc(C)c(S(=O)(=O)N2CN(C[C@H]3CCCO3)c3nc4ccccc4nc32)c1
InChIInChI=1S/C22H24N4O3S/c1-15-9-10-16(2)20(12-15)30(27,28)26-14-25(13-17-6-5-11-29-17)21-22(26)24-19-8-4-3-7-18(19)23-21/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyIGOMLFVUOPFRMD-QGZVFWFLSA-N
MW424.53 g/mol
LogP3.40
Rot. Bonds4

About 3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline

3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2018568) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline
PubChem CID2018568
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline
SMILESCc1ccc(C)c(S(=O)(=O)N2CN(C[C@H]3CCCO3)c3nc4ccccc4nc32)c1
InChIInChI=1S/C22H24N4O3S/c1-15-9-10-16(2)20(12-15)30(27,28)26-14-25(13-17-6-5-11-29-17)21-22(26)24-19-8-4-3-7-18(19)23-21/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyIGOMLFVUOPFRMD-QGZVFWFLSA-N
XLogP3.40
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline (CID 2018568) is 3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline is Cc1ccc(C)c(S(=O)(=O)N2CN(C[C@H]3CCCO3)c3nc4ccccc4nc32)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is IGOMLFVUOPFRMD-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-15-9-10-16(2)20(12-15)30(27,28)26-14-25(13-17-6-5-11-29-17)21-22(26)24-19-8-4-3-7-18(19)23-21/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline?
3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 424.53 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2018568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).