N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide

C20H19ClN2O3S — CID 46355722

IUPACN-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
SMILESCOc1ccc2[nH]c(CSCC(=O)Nc3ccc(C)c(Cl)c3)cc(=O)c2c1
InChIInChI=1S/C20H19ClN2O3S/c1-12-3-4-13(7-17(12)21)23-20(25)11-27-10-14-8-19(24)16-9-15(26-2)5-6-18(16)22-14/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXDQSDZQYBSWIDC-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.37
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide

N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide (PubChem CID 46355722) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
PubChem CID46355722
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
SMILESCOc1ccc2[nH]c(CSCC(=O)Nc3ccc(C)c(Cl)c3)cc(=O)c2c1
InChIInChI=1S/C20H19ClN2O3S/c1-12-3-4-13(7-17(12)21)23-20(25)11-27-10-14-8-19(24)16-9-15(26-2)5-6-18(16)22-14/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXDQSDZQYBSWIDC-UHFFFAOYSA-N
XLogP4.37
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 22580167
N-(4-methoxyphenyl)-2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355420
N-(4-ethoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355604
N-(3-chlorophenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355603
N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355712
N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355630
ethyl 2-[[2-(3-chloroanilino)-2-oxoethyl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate
CID 46355673
2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 46355519
N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355691
methyl 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785388
N-(2,5-dimethoxyphenyl)-2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355601
N-(3,4-dichlorophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212248

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide (CID 46355722) is N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide is COc1ccc2[nH]c(CSCC(=O)Nc3ccc(C)c(Cl)c3)cc(=O)c2c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The InChIKey is XDQSDZQYBSWIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-12-3-4-13(7-17(12)21)23-20(25)11-27-10-14-8-19(24)16-9-15(26-2)5-6-18(16)22-14/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide has a molecular weight of 402.90 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 46355722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).