2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine

C18H18N2O3S — CID 123302572

IUPAC2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
SMILESCOc1cc(-c2cc(N)c3cc(S(C)(=O)=O)ccc3n2)ccc1C
InChIInChI=1S/C18H18N2O3S/c1-11-4-5-12(8-18(11)23-2)17-10-15(19)14-9-13(24(3,21)22)6-7-16(14)20-17/h4-10H,1-3H3,(H2,19,20)
InChIKeyWHOPUDJZBWPTKW-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.20
Rot. Bonds3

About 2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine

2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine (PubChem CID 123302572) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
PubChem CID123302572
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
SMILESCOc1cc(-c2cc(N)c3cc(S(C)(=O)=O)ccc3n2)ccc1C
InChIInChI=1S/C18H18N2O3S/c1-11-4-5-12(8-18(11)23-2)17-10-15(19)14-9-13(24(3,21)22)6-7-16(14)20-17/h4-10H,1-3H3,(H2,19,20)
InChIKeyWHOPUDJZBWPTKW-UHFFFAOYSA-N
XLogP3.20
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-(3-methoxyphenyl)quinolin-4-amine
CID 69239758
N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
CID 67465104
6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine
CID 74250739
2-methyl-5-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62067932
methyl 6-methylsulfonyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 151693176
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196
6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine
CID 22643261
3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 43158798
1,2-dimethyl-4-methylsulfonylbenzene;ethane
CID 142336805
2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide
CID 16545912
2-methyl-6-methylsulfonyl-3H-quinazolin-4-one
CID 137009985
3-(3-methoxy-4-methylphenyl)benzoic acid
CID 53216637

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine (CID 123302572) is 2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine is COc1cc(-c2cc(N)c3cc(S(C)(=O)=O)ccc3n2)ccc1C.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine?
The InChIKey is WHOPUDJZBWPTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-4-5-12(8-18(11)23-2)17-10-15(19)14-9-13(24(3,21)22)6-7-16(14)20-17/h4-10H,1-3H3,(H2,19,20).
What are the key properties of 2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine?
2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine has a molecular weight of 342.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine is sourced from PubChem (CID 123302572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).