6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline

C20H23NO3S — CID 988603

IUPAC6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H23NO3S/c1-14-6-9-17(10-7-14)25(22,23)21-19-11-8-16(24-5)12-18(19)15(2)13-20(21,3)4/h6-13H,1-5H3
InChIKeyWFMNFAPULOCYHK-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.39
Rot. Bonds3

About 6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline

6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline (PubChem CID 988603) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline.

Molecular Properties

Compound Name6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline
PubChem CID988603
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H23NO3S/c1-14-6-9-17(10-7-14)25(22,23)21-19-11-8-16(24-5)12-18(19)15(2)13-20(21,3)4/h6-13H,1-5H3
InChIKeyWFMNFAPULOCYHK-UHFFFAOYSA-N
XLogP4.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline?
The IUPAC name of 6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline (CID 988603) is 6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline.
What is the SMILES notation for 6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline?
The canonical SMILES for 6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline is COc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline?
The InChIKey is WFMNFAPULOCYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-14-6-9-17(10-7-14)25(22,23)21-19-11-8-16(24-5)12-18(19)15(2)13-20(21,3)4/h6-13H,1-5H3.
What are the key properties of 6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline?
6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline has a molecular weight of 357.48 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline is sourced from PubChem (CID 988603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).