2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine

C22H18N2O2S — CID 46232186

IUPAC2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccc3c(N)c2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2S/c1-27(25,26)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23)18-9-5-6-10-19(18)24-22/h2-14H,1H3,(H2,23,24)
InChIKeyDQFDBTGRKSFVFQ-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.55
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine

2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine (PubChem CID 46232186) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine
PubChem CID46232186
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccc3c(N)c2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2S/c1-27(25,26)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23)18-9-5-6-10-19(18)24-22/h2-14H,1H3,(H2,23,24)
InChIKeyDQFDBTGRKSFVFQ-UHFFFAOYSA-N
XLogP4.55
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine (CID 46232186) is 2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine is CS(=O)(=O)c1ccc(-c2nc3ccccc3c(N)c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine?
The InChIKey is DQFDBTGRKSFVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-27(25,26)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23)18-9-5-6-10-19(18)24-22/h2-14H,1H3,(H2,23,24).
What are the key properties of 2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine?
2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine has a molecular weight of 374.47 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-3-phenylquinolin-4-amine is sourced from PubChem (CID 46232186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).