2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide

C21H22N2O3S — CID 46355444

IUPAC2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSCc1cc(=O)c2ccc(C)c(C)c2[nH]1
InChIInChI=1S/C21H22N2O3S/c1-13-8-9-16-18(24)10-15(22-21(16)14(13)2)11-27-12-20(25)23-17-6-4-5-7-19(17)26-3/h4-10H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyCODJQRRBXSJZDP-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.03
Rot. Bonds6

About 2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide

2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide (PubChem CID 46355444) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
PubChem CID46355444
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSCc1cc(=O)c2ccc(C)c(C)c2[nH]1
InChIInChI=1S/C21H22N2O3S/c1-13-8-9-16-18(24)10-15(22-21(16)14(13)2)11-27-12-20(25)23-17-6-4-5-7-19(17)26-3/h4-10H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyCODJQRRBXSJZDP-UHFFFAOYSA-N
XLogP4.03
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 46355625
N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355630
2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 46355439
N-(2,5-dimethoxyphenyl)-2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355601
2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 46355668
2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46355694
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355691
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 46355483
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 583439
N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355722

Frequently Asked Questions

What is the IUPAC name of 2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide (CID 46355444) is 2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSCc1cc(=O)c2ccc(C)c(C)c2[nH]1.
What is the InChIKey of 2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is CODJQRRBXSJZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-13-8-9-16-18(24)10-15(22-21(16)14(13)2)11-27-12-20(25)23-17-6-4-5-7-19(17)26-3/h4-10H,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide?
2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 382.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 46355444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).