N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide

C20H20N2O2S — CID 9453515

IUPACN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide
SMILESCSc1ccc(CN(C)C(=O)COc2cccc3cccnc23)cc1
InChIInChI=1S/C20H20N2O2S/c1-22(13-15-8-10-17(25-2)11-9-15)19(23)14-24-18-7-3-5-16-6-4-12-21-20(16)18/h3-12H,13-14H2,1-2H3
InChIKeyAMRJXMITRFYCOQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.99
Rot. Bonds6

About N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide (PubChem CID 9453515) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide
PubChem CID9453515
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide
SMILESCSc1ccc(CN(C)C(=O)COc2cccc3cccnc23)cc1
InChIInChI=1S/C20H20N2O2S/c1-22(13-15-8-10-17(25-2)11-9-15)19(23)14-24-18-7-3-5-16-6-4-12-21-20(16)18/h3-12H,13-14H2,1-2H3
InChIKeyAMRJXMITRFYCOQ-UHFFFAOYSA-N
XLogP3.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide
CID 9205470
2-(2-methoxyphenoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 78771599
2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 9009870
N-[(4-chlorophenyl)methyl]-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide
CID 8716397
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate
CID 10267346
methyl 3-methoxy-4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethoxy]benzoate
CID 8807970
2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 51190547
2-quinolin-8-yloxyacetate
CID 6950984
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-sulfanylpropanamide
CID 115167959
3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115139196
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide (CID 9453515) is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide is CSc1ccc(CN(C)C(=O)COc2cccc3cccnc23)cc1.
What is the InChIKey of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide?
The InChIKey is AMRJXMITRFYCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-22(13-15-8-10-17(25-2)11-9-15)19(23)14-24-18-7-3-5-16-6-4-12-21-20(16)18/h3-12H,13-14H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide?
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide has a molecular weight of 352.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 9453515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).