4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one

C17H14FNOS — CID 24744029

IUPAC4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one
SMILESCc1ccc2c(c1)c(Sc1ccc(F)cc1)cc(=O)n2C
InChIInChI=1S/C17H14FNOS/c1-11-3-8-15-14(9-11)16(10-17(20)19(15)2)21-13-6-4-12(18)5-7-13/h3-10H,1-2H3
InChIKeyPGKAWLDNHVJPJQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.14
Rot. Bonds2

About 4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one

4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one (PubChem CID 24744029) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one
PubChem CID24744029
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC Name4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one
SMILESCc1ccc2c(c1)c(Sc1ccc(F)cc1)cc(=O)n2C
InChIInChI=1S/C17H14FNOS/c1-11-3-8-15-14(9-11)16(10-17(20)19(15)2)21-13-6-4-12(18)5-7-13/h3-10H,1-2H3
InChIKeyPGKAWLDNHVJPJQ-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 4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one (CID 24744029) is 4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one is Cc1ccc2c(c1)c(Sc1ccc(F)cc1)cc(=O)n2C.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one?
The InChIKey is PGKAWLDNHVJPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS/c1-11-3-8-15-14(9-11)16(10-17(20)19(15)2)21-13-6-4-12(18)5-7-13/h3-10H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one?
4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-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 4-(4-fluorophenyl)sulfanyl-1,6-dimethylquinolin-2-one is sourced from PubChem (CID 24744029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).