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

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine
CID 18590226
N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 16804653
6-chloro-N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18560312
3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 18560475
3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 18560146
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
N-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18590835
N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine
CID 18560452
N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18590209
4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline
CID 56923475
4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline
CID 91895097
6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 18559573

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).