2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide

C25H22N2O3S — CID 46298622

IUPAC2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(-c2cc(OCC(=O)Nc3cccc(SC)c3)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N2O3S/c1-29-19-12-10-17(11-13-19)23-15-24(21-8-3-4-9-22(21)27-23)30-16-25(28)26-18-6-5-7-20(14-18)31-2/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyUECZAJNWHIPSAB-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.65
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide

2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 46298622) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide
PubChem CID46298622
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(-c2cc(OCC(=O)Nc3cccc(SC)c3)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N2O3S/c1-29-19-12-10-17(11-13-19)23-15-24(21-8-3-4-9-22(21)27-23)30-16-25(28)26-18-6-5-7-20(14-18)31-2/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyUECZAJNWHIPSAB-UHFFFAOYSA-N
XLogP5.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298915
N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)quinolin-4-yl]oxyacetamide
CID 46298628
N-phenyl-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298665
N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298896
N-(2,5-dimethoxyphenyl)-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298695
N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
CID 99835658
N-(4-fluorophenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298901
methyl 6-methyl-4-[2-(3-methylsulfanylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113000
N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide
CID 46298806
N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7894372
methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53112938
[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17261984

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide (CID 46298622) is 2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide is COc1ccc(-c2cc(OCC(=O)Nc3cccc(SC)c3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is UECZAJNWHIPSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-29-19-12-10-17(11-13-19)23-15-24(21-8-3-4-9-22(21)27-23)30-16-25(28)26-18-6-5-7-20(14-18)31-2/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of 2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide?
2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 430.53 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 46298622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).