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

C16H11ClFNOS — CID 24895946

IUPAC4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one
SMILESCn1c(=O)cc(Sc2ccc(Cl)cc2)c2cc(F)ccc21
InChIInChI=1S/C16H11ClFNOS/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
InChIKeyLMFBBSGXVWXIPO-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.48
Rot. Bonds2

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

4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one (PubChem CID 24895946) has the molecular formula C16H11ClFNOS and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one
PubChem CID24895946
Molecular FormulaC16H11ClFNOS
Molecular Weight319.79 g/mol
Exact Mass319.02
IUPAC Name4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one
SMILESCn1c(=O)cc(Sc2ccc(Cl)cc2)c2cc(F)ccc21
InChIInChI=1S/C16H11ClFNOS/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
InChIKeyLMFBBSGXVWXIPO-UHFFFAOYSA-N
XLogP4.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one (CID 24895946) is 4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one is Cn1c(=O)cc(Sc2ccc(Cl)cc2)c2cc(F)ccc21.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one?
The InChIKey is LMFBBSGXVWXIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNOS/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 4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one?
4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one has a molecular weight of 319.79 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one is sourced from PubChem (CID 24895946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).