3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one

C16H12FNO2S — CID 135033752

IUPAC3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(Sc2ccc(F)cc2)c(O)c2ccccc21
InChIInChI=1S/C16H12FNO2S/c1-18-13-5-3-2-4-12(13)14(19)15(16(18)20)21-11-8-6-10(17)7-9-11/h2-9,19H,1H3
InChIKeyKUYHEPHDTLODHF-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.53
Rot. Bonds2

About 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one

3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one (PubChem CID 135033752) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one
PubChem CID135033752
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(Sc2ccc(F)cc2)c(O)c2ccccc21
InChIInChI=1S/C16H12FNO2S/c1-18-13-5-3-2-4-12(13)14(19)15(16(18)20)21-11-8-6-10(17)7-9-11/h2-9,19H,1H3
InChIKeyKUYHEPHDTLODHF-UHFFFAOYSA-N
XLogP3.53
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one (CID 135033752) is 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one is Cn1c(=O)c(Sc2ccc(F)cc2)c(O)c2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is KUYHEPHDTLODHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c1-18-13-5-3-2-4-12(13)14(19)15(16(18)20)21-11-8-6-10(17)7-9-11/h2-9,19H,1H3.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one?
3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 301.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 135033752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).