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

C17H15NOS — CID 46926579

IUPAC1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one
SMILESCc1ccc(Sc2cc(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C17H15NOS/c1-12-7-9-13(10-8-12)20-16-11-17(19)18(2)15-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyOLPLDBORHRUCNB-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.00
Rot. Bonds2

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

1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one (PubChem CID 46926579) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one
PubChem CID46926579
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one
SMILESCc1ccc(Sc2cc(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C17H15NOS/c1-12-7-9-13(10-8-12)20-16-11-17(19)18(2)15-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyOLPLDBORHRUCNB-UHFFFAOYSA-N
XLogP4.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one?
The IUPAC name of 1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one (CID 46926579) is 1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one is Cc1ccc(Sc2cc(=O)n(C)c3ccccc23)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one?
The InChIKey is OLPLDBORHRUCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-12-7-9-13(10-8-12)20-16-11-17(19)18(2)15-6-4-3-5-14(15)16/h3-11H,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one?
1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one has a molecular weight of 281.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one is sourced from PubChem (CID 46926579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).