2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide

C22H24N2O3S — CID 169414898

IUPAC2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2nc(-c3cc(OC)c(SC)cc3OC)cc(C)c2c1
InChIInChI=1S/C22H24N2O3S/c1-13-8-18(16-11-20(27-4)21(28-5)12-19(16)26-3)24-17-7-6-14(9-15(13)17)10-22(25)23-2/h6-9,11-12H,10H2,1-5H3,(H,23,25)
InChIKeyHCJPIAKKSNAFBY-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.24
Rot. Bonds6

About 2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide

2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide (PubChem CID 169414898) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide
PubChem CID169414898
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2nc(-c3cc(OC)c(SC)cc3OC)cc(C)c2c1
InChIInChI=1S/C22H24N2O3S/c1-13-8-18(16-11-20(27-4)21(28-5)12-19(16)26-3)24-17-7-6-14(9-15(13)17)10-22(25)23-2/h6-9,11-12H,10H2,1-5H3,(H,23,25)
InChIKeyHCJPIAKKSNAFBY-UHFFFAOYSA-N
XLogP4.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethoxy-3-methoxyphenyl)-4-methylquinolin-6-yl]-N-methylacetamide
CID 169411482
2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide
CID 169412688
2-[2-(2-fluoro-6-methoxyphenyl)-4-methylquinolin-7-yl]-N-methylacetamide
CID 169414091
N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide
CID 169411661
2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide
CID 169420696
N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide
CID 170508487
2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide
CID 169414079
2-[2-(6-acetamidoquinolin-2-yl)-4-methylquinolin-7-yl]-N-methylacetamide
CID 169416962
ethyl 2-(3-methoxy-4-methylsulfanylphenyl)acetate
CID 91881387
methyl 2-(6-ethyl-4-methylquinolin-2-yl)acetate
CID 59382493
2-(2,5-dimethoxy-4-methylsulfanylanilino)acetic acid
CID 115218012
4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol
CID 170509759

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide (CID 169414898) is 2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide is CNC(=O)Cc1ccc2nc(-c3cc(OC)c(SC)cc3OC)cc(C)c2c1.
What is the InChIKey of 2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide?
The InChIKey is HCJPIAKKSNAFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-13-8-18(16-11-20(27-4)21(28-5)12-19(16)26-3)24-17-7-6-14(9-15(13)17)10-22(25)23-2/h6-9,11-12H,10H2,1-5H3,(H,23,25).
What are the key properties of 2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide?
2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide has a molecular weight of 396.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide is sourced from PubChem (CID 169414898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).