6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one

C16H11F2NOS — CID 24896039

IUPAC6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one
SMILESCn1c(=O)cc(Sc2ccc(F)cc2)c2cc(F)ccc21
InChIInChI=1S/C16H11F2NOS/c1-19-14-7-4-11(18)8-13(14)15(9-16(19)20)21-12-5-2-10(17)3-6-12/h2-9H,1H3
InChIKeyYMSWWEOPOWJCQQ-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.97
Rot. Bonds2

About 6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one

6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one (PubChem CID 24896039) has the molecular formula C16H11F2NOS and a molecular weight of 303.33 g/mol. Its IUPAC name is 6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one
PubChem CID24896039
Molecular FormulaC16H11F2NOS
Molecular Weight303.33 g/mol
Exact Mass303.05
IUPAC Name6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one
SMILESCn1c(=O)cc(Sc2ccc(F)cc2)c2cc(F)ccc21
InChIInChI=1S/C16H11F2NOS/c1-19-14-7-4-11(18)8-13(14)15(9-16(19)20)21-12-5-2-10(17)3-6-12/h2-9H,1H3
InChIKeyYMSWWEOPOWJCQQ-UHFFFAOYSA-N
XLogP3.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-[(4-methylphenyl)thio]-3-nitro-2-quinolinone
CID 776319
4-(2-fluorobenzyl)-2H-benzo[b][1,4]thiazin-3(4H)-one
CID 3244415
1-Benzyl-4-methyl-1H-quinolin-2-one
CID 1480959
1-methyl-4-phenylquinolin-2(1H)-one
CID 684365
1-ethyl-4-[(2-oxo-2-piperidin-1-ylethyl)thio]quinolin-2(1H)-one
CID 3240943
N-Benzyl-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-methylacetamide
CID 6622576
1-methyl-4-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinolin-2(1H)-one
CID 9550973
2-[(1-Ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
CID 9551251
1-Ethyl-4-({2-[4-(2-fluorophenyl)piperazin-1-YL]-2-oxoethyl}sulfanyl)-1,2-dihydroquinolin-2-one
CID 9551253
1-(3-fluorobenzyl)-2(1H)-quinolinone
CID 3830713
3-(5-Chloro-2-methylphenyl)-2-(3-fluorophenyl)thiazolidin-4-one
CID 4195758
3-(5-Fluoro-2-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4245285

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one?
The IUPAC name of 6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one (CID 24896039) is 6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one.
What is the SMILES notation for 6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one?
The canonical SMILES for 6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one is Cn1c(=O)cc(Sc2ccc(F)cc2)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one?
The InChIKey is YMSWWEOPOWJCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NOS/c1-19-14-7-4-11(18)8-13(14)15(9-16(19)20)21-12-5-2-10(17)3-6-12/h2-9H,1H3.
What are the key properties of 6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one?
6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one has a molecular weight of 303.33 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4-fluorophenyl)sulfanyl-1-methylquinolin-2-one is sourced from PubChem (CID 24896039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).