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

C21H15NO2S — CID 54685600

IUPAC4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one
SMILESO=c1c(Sc2ccccc2)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C21H15NO2S/c23-19-17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)21(24)20(19)25-16-11-5-2-6-12-16/h1-14,23H
InChIKeyPSJYETKZVFAKCO-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.85
Rot. Bonds3

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

4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one (PubChem CID 54685600) has the molecular formula C21H15NO2S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one
PubChem CID54685600
Molecular FormulaC21H15NO2S
Molecular Weight345.42 g/mol
Exact Mass345.08
IUPAC Name4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one
SMILESO=c1c(Sc2ccccc2)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C21H15NO2S/c23-19-17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)21(24)20(19)25-16-11-5-2-6-12-16/h1-14,23H
InChIKeyPSJYETKZVFAKCO-UHFFFAOYSA-N
XLogP4.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one
CID 102581403
3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one
CID 54682455
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one
CID 110273136
4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one
CID 89229166
3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one
CID 54705173
4-hydroxy-1-methyl-3-(4-nitrophenyl)sulfanylquinolin-2-one
CID 54712454
4-hydroxy-3-(1,2-oxazol-3-yl)-1-phenylquinolin-2-one
CID 135449722
methyl 3-(4-hydroxy-2,5-dioxo-6-phenylpyrano[3,2-c]quinolin-3-yl)sulfanylbenzoate
CID 59241481
5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one
CID 90379871
4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135470083
prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate
CID 54737721

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one?
The IUPAC name of 4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one (CID 54685600) is 4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one?
The canonical SMILES for 4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one is O=c1c(Sc2ccccc2)c(O)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one?
The InChIKey is PSJYETKZVFAKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2S/c23-19-17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)21(24)20(19)25-16-11-5-2-6-12-16/h1-14,23H.
What are the key properties of 4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one?
4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one has a molecular weight of 345.42 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one is sourced from PubChem (CID 54685600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).