4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline

C23H21NO3S — CID 135020537

IUPAC4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline
SMILESCOc1ccc(C2C=CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C23H21NO3S/c1-17-7-13-20(14-8-17)28(25,26)24-16-15-21(22-5-3-4-6-23(22)24)18-9-11-19(27-2)12-10-18/h3-16,21H,1-2H3
InChIKeyGLCIROOHABMSFE-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.86
Rot. Bonds4

About 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline

4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline (PubChem CID 135020537) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline
PubChem CID135020537
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline
SMILESCOc1ccc(C2C=CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C23H21NO3S/c1-17-7-13-20(14-8-17)28(25,26)24-16-15-21(22-5-3-4-6-23(22)24)18-9-11-19(27-2)12-10-18/h3-16,21H,1-2H3
InChIKeyGLCIROOHABMSFE-UHFFFAOYSA-N
XLogP4.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-deuterio-4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinazoline
CID 175912548
5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 50916592
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-3-sulfanyl-2,3-dihydroquinolin-4-one
CID 175074316
(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 162407870
3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine
CID 10477333
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
CID 28887671
2-[(2S,3R)-2-(4-methoxybenzoyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]-1-phenylethanone
CID 132916667
3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 132581058
(6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine
CID 69354601
5-methoxy-2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 76517658

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline?
The IUPAC name of 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline (CID 135020537) is 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline is COc1ccc(C2C=CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline?
The InChIKey is GLCIROOHABMSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-17-7-13-20(14-8-17)28(25,26)24-16-15-21(22-5-3-4-6-23(22)24)18-9-11-19(27-2)12-10-18/h3-16,21H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline?
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline has a molecular weight of 391.49 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline is sourced from PubChem (CID 135020537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).