6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine

C24H22N2O4S — CID 146080934

IUPAC6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine
SMILESCOc1ccc(Nc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(OC)cc23)cc1
InChIInChI=1S/C24H22N2O4S/c1-16-4-11-20(12-5-16)31(27,28)23-15-25-22-13-10-19(30-3)14-21(22)24(23)26-17-6-8-18(29-2)9-7-17/h4-15H,1-3H3,(H,25,26)
InChIKeyXHCRRJZCMLIXBH-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.14
Rot. Bonds6

About 6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine

6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine (PubChem CID 146080934) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine
PubChem CID146080934
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine
SMILESCOc1ccc(Nc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(OC)cc23)cc1
InChIInChI=1S/C24H22N2O4S/c1-16-4-11-20(12-5-16)31(27,28)23-15-25-22-13-10-19(30-3)14-21(22)24(23)26-17-6-8-18(29-2)9-7-17/h4-15H,1-3H3,(H,25,26)
InChIKeyXHCRRJZCMLIXBH-UHFFFAOYSA-N
XLogP5.14
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-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 6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine?
The IUPAC name of 6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine (CID 146080934) is 6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine.
What is the SMILES notation for 6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine?
The canonical SMILES for 6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine is COc1ccc(Nc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(OC)cc23)cc1.
What is the InChIKey of 6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine?
The InChIKey is XHCRRJZCMLIXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-16-4-11-20(12-5-16)31(27,28)23-15-25-22-13-10-19(30-3)14-21(22)24(23)26-17-6-8-18(29-2)9-7-17/h4-15H,1-3H3,(H,25,26).
What are the key properties of 6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine?
6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine has a molecular weight of 434.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine is sourced from PubChem (CID 146080934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).