2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide

C21H21N3O3S — CID 9363306

IUPAC2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)COc1cccc2cccnc12
InChIInChI=1S/C21H21N3O3S/c1-24(13-19(25)23-16-9-3-4-11-18(16)28-2)20(26)14-27-17-10-5-7-15-8-6-12-22-21(15)17/h3-12H,13-14H2,1-2H3,(H,23,25)
InChIKeyAIEVEOAZRIRRNE-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.43
Rot. Bonds7

About 2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide

2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 9363306) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID9363306
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)COc1cccc2cccnc12
InChIInChI=1S/C21H21N3O3S/c1-24(13-19(25)23-16-9-3-4-11-18(16)28-2)20(26)14-27-17-10-5-7-15-8-6-12-22-21(15)17/h3-12H,13-14H2,1-2H3,(H,23,25)
InChIKeyAIEVEOAZRIRRNE-UHFFFAOYSA-N
XLogP3.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide (CID 9363306) is 2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)C(=O)COc1cccc2cccnc12.
What is the InChIKey of 2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is AIEVEOAZRIRRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-24(13-19(25)23-16-9-3-4-11-18(16)28-2)20(26)14-27-17-10-5-7-15-8-6-12-22-21(15)17/h3-12H,13-14H2,1-2H3,(H,23,25).
What are the key properties of 2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide?
2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 395.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-quinolin-8-yloxyacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 9363306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).