2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide

C20H19FN2O3S — CID 46355694

IUPAC2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSCc1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C20H19FN2O3S/c1-12-6-7-18(26-2)16(8-12)23-19(25)11-27-10-13-9-17(24)14-4-3-5-15(21)20(14)22-13/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyIHSTZKRGWNGLBA-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.86
Rot. Bonds6

About 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 46355694) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID46355694
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSCc1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C20H19FN2O3S/c1-12-6-7-18(26-2)16(8-12)23-19(25)11-27-10-13-9-17(24)14-4-3-5-15(21)20(14)22-13/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyIHSTZKRGWNGLBA-UHFFFAOYSA-N
XLogP3.86
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355691
N-(2,5-dimethoxyphenyl)-2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355601
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-(2-methoxyphenyl)acetamide
CID 46355444
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355712
2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 46355439
N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 22580167
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897632
2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 26635675
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

Frequently Asked Questions

What is the IUPAC name of 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 46355694) is 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CSCc1cc(=O)c2cccc(F)c2[nH]1.
What is the InChIKey of 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is IHSTZKRGWNGLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-12-6-7-18(26-2)16(8-12)23-19(25)11-27-10-13-9-17(24)14-4-3-5-15(21)20(14)22-13/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 386.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 46355694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).