2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide

C20H19ClN2O2S — CID 46355519

IUPAC2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2cc(=O)c3cc(Cl)ccc3[nH]2)c(C)c1
InChIInChI=1S/C20H19ClN2O2S/c1-12-3-5-17(13(2)7-12)23-20(25)11-26-10-15-9-19(24)16-8-14(21)4-6-18(16)22-15/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZDBGSYROQPDKOK-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.67
Rot. Bonds5

About 2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide

2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 46355519) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID46355519
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2cc(=O)c3cc(Cl)ccc3[nH]2)c(C)c1
InChIInChI=1S/C20H19ClN2O2S/c1-12-3-5-17(13(2)7-12)23-20(25)11-26-10-15-9-19(24)16-8-14(21)4-6-18(16)22-15/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZDBGSYROQPDKOK-UHFFFAOYSA-N
XLogP4.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355603
N-(4-ethoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355604
N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 22580167
2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 22580168
ethyl 2-[[2-(3-chloroanilino)-2-oxoethyl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate
CID 46355673
2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 46355414
N-(4-methoxyphenyl)-2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355420
2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 46332078
2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46355694
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087808
ethyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 3708350

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide (CID 46355519) is 2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSCc2cc(=O)c3cc(Cl)ccc3[nH]2)c(C)c1.
What is the InChIKey of 2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is ZDBGSYROQPDKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-12-3-5-17(13(2)7-12)23-20(25)11-26-10-15-9-19(24)16-8-14(21)4-6-18(16)22-15/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide?
2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 386.90 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 46355519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).