6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one

C17H14FNOS — CID 24895947

IUPAC6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one
SMILESCc1ccc(Sc2cc(=O)n(C)c3ccc(F)cc23)cc1
InChIInChI=1S/C17H14FNOS/c1-11-3-6-13(7-4-11)21-16-10-17(20)19(2)15-8-5-12(18)9-14(15)16/h3-10H,1-2H3
InChIKeyRIHNCVWUBNIXRQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.14
Rot. Bonds2

About 6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one

6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one (PubChem CID 24895947) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one.

Molecular Properties

Compound Name6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one
PubChem CID24895947
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC Name6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one
SMILESCc1ccc(Sc2cc(=O)n(C)c3ccc(F)cc23)cc1
InChIInChI=1S/C17H14FNOS/c1-11-3-6-13(7-4-11)21-16-10-17(20)19(2)15-8-5-12(18)9-14(15)16/h3-10H,1-2H3
InChIKeyRIHNCVWUBNIXRQ-UHFFFAOYSA-N
XLogP4.14
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one?
The IUPAC name of 6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one (CID 24895947) is 6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one.
What is the SMILES notation for 6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one?
The canonical SMILES for 6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one is Cc1ccc(Sc2cc(=O)n(C)c3ccc(F)cc23)cc1.
What is the InChIKey of 6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one?
The InChIKey is RIHNCVWUBNIXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS/c1-11-3-6-13(7-4-11)21-16-10-17(20)19(2)15-8-5-12(18)9-14(15)16/h3-10H,1-2H3.
What are the key properties of 6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one?
6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one has a molecular weight of 299.37 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one is sourced from PubChem (CID 24895947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).