4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline

C23H19NO2S — CID 46232133

IUPAC4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline
SMILESCc1c(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)nc2ccccc12
InChIInChI=1S/C23H19NO2S/c1-16-20-10-6-7-11-21(20)24-23(22(16)17-8-4-3-5-9-17)18-12-14-19(15-13-18)27(2,25)26/h3-15H,1-2H3
InChIKeyXQCBMHKEPWWBCB-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.28
Rot. Bonds3

About 4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline

4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline (PubChem CID 46232133) has the molecular formula C23H19NO2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline.

Molecular Properties

Compound Name4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline
PubChem CID46232133
Molecular FormulaC23H19NO2S
Molecular Weight373.48 g/mol
Exact Mass373.11
IUPAC Name4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline
SMILESCc1c(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)nc2ccccc12
InChIInChI=1S/C23H19NO2S/c1-16-20-10-6-7-11-21(20)24-23(22(16)17-8-4-3-5-9-17)18-12-14-19(15-13-18)27(2,25)26/h3-15H,1-2H3
InChIKeyXQCBMHKEPWWBCB-UHFFFAOYSA-N
XLogP5.28
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
CID 122265
2-(Phenylthio)quinoline
CID 89621
2-(4-(Methylsulfonyl)phenyl)-3-phenylquinoline
CID 46232132
2-(4-(methylsulfonyl)phenyl)-3-p-tolyl-1H-indole
CID 10021497
8-(3-(2-Fluoro-2-(methylsulfonyl)-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10145470
8-(3-(2-(Cyclopropylsulfonyl)-2-fluoro-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10211390
8-(3-(2-(Methylsulfonyl)-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10232061
8-(3''-Methanesulfonyl-biphenyl-3-yl)-6-(1-methanesulfonyl-1-methyl-ethyl)-quinoline
CID 10254542
(E)-6-isopropyl-8-(3-(2-(5-methylpyridin-2-yl)-2-(4-(methylsulfonyl)phenyl)vinyl)phenyl)quinoline
CID 10301548
8-(4''-Methanesulfonyl-biphenyl-3-yl)-6-(1-methanesulfonyl-1-methyl-ethyl)-quinoline
CID 10390387
2-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-indole
CID 11725257
3-(4-fluorophenyl)-2-(4-(methylsulfonyl)phenyl)-1H-indole
CID 15337398

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline?
The IUPAC name of 4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline (CID 46232133) is 4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline.
What is the SMILES notation for 4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline?
The canonical SMILES for 4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline is Cc1c(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline?
The InChIKey is XQCBMHKEPWWBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2S/c1-16-20-10-6-7-11-21(20)24-23(22(16)17-8-4-3-5-9-17)18-12-14-19(15-13-18)27(2,25)26/h3-15H,1-2H3.
What are the key properties of 4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline?
4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline has a molecular weight of 373.48 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylsulfonylphenyl)-3-phenylquinoline is sourced from PubChem (CID 46232133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).