4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one

C16H13NO2S — CID 54677757

IUPAC4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one
SMILESCn1c(=O)c(Sc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C16H13NO2S/c1-17-13-10-6-5-9-12(13)14(18)15(16(17)19)20-11-7-3-2-4-8-11/h2-10,18H,1H3
InChIKeyWPJZKSCMQWHANJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.40
Rot. Bonds2

About 4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one

4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one (PubChem CID 54677757) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one
PubChem CID54677757
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one
SMILESCn1c(=O)c(Sc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C16H13NO2S/c1-17-13-10-6-5-9-12(13)14(18)15(16(17)19)20-11-7-3-2-4-8-11/h2-10,18H,1H3
InChIKeyWPJZKSCMQWHANJ-UHFFFAOYSA-N
XLogP3.40
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Roquinimex
CID 54676478
4-Hydroxy-N-methylcarbostyril
CID 54686436
Zanthobisquinolone
CID 54688597
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
CID 54680431
1-Butyl-4-hydroxy-2-quinolone
CID 54676155
1-Ethyl-4-hydroxyquinolin-2(1H)-one
CID 54684641
3-Benzyl-4-hydroxy-1-methylquinolin-2(1H)-one
CID 54705756
3-Acetyl-4-hydroxy-1-methyl-2(1H)-quinolinone
CID 54697138
1,3-Dimethyl-4-hydroxy-2-quinolone
CID 54683989
4-Hydroxy-1-phenyl-1,2-dihydroquinolin-2-one
CID 54676161
4-hydroxy-1-methyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide
CID 54676449

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one (CID 54677757) is 4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one is Cn1c(=O)c(Sc2ccccc2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one?
The InChIKey is WPJZKSCMQWHANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-17-13-10-6-5-9-12(13)14(18)15(16(17)19)20-11-7-3-2-4-8-11/h2-10,18H,1H3.
What are the key properties of 4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one?
4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one has a molecular weight of 283.35 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-phenylsulfanylquinolin-2-one is sourced from PubChem (CID 54677757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).