6-methyl-2-methylsulfanyl-1H-quinolin-4-one

C11H11NOS — CID 14319845

IUPAC6-methyl-2-methylsulfanyl-1H-quinolin-4-one
SMILESCSc1cc(=O)c2cc(C)ccc2[nH]1
InChIInChI=1S/C11H11NOS/c1-7-3-4-9-8(5-7)10(13)6-11(12-9)14-2/h3-6H,1-2H3,(H,12,13)
InChIKeyVJJTXFIGCVKKBF-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.56
Rot. Bonds1

About 6-methyl-2-methylsulfanyl-1H-quinolin-4-one

6-methyl-2-methylsulfanyl-1H-quinolin-4-one (PubChem CID 14319845) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyl-1H-quinolin-4-one
PubChem CID14319845
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name6-methyl-2-methylsulfanyl-1H-quinolin-4-one
SMILESCSc1cc(=O)c2cc(C)ccc2[nH]1
InChIInChI=1S/C11H11NOS/c1-7-3-4-9-8(5-7)10(13)6-11(12-9)14-2/h3-6H,1-2H3,(H,12,13)
InChIKeyVJJTXFIGCVKKBF-UHFFFAOYSA-N
XLogP2.56
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-dimethyl-10H-acridin-9-one
CID 13293445
6-methyl-2-(trichloromethyl)-1H-quinolin-4-one
CID 121220814
3,6-dimethyl-9H-carbazole
CID 144942624
ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one
CID 145241790
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one
CID 10658383
5-methyl-2-methylsulfanyl-3-nitroso-1H-indole
CID 71344196
4-iodo-6-methyl-1H-quinolin-2-one
CID 156809530
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395
6-methyl-9H-carbazole-1,4-dione
CID 53244095
2-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10681996
2,3,5-trimethyl-1H-indole;vanadium
CID 159816698

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyl-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-methylsulfanyl-1H-quinolin-4-one (CID 14319845) is 6-methyl-2-methylsulfanyl-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-methylsulfanyl-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-methylsulfanyl-1H-quinolin-4-one is CSc1cc(=O)c2cc(C)ccc2[nH]1.
What is the InChIKey of 6-methyl-2-methylsulfanyl-1H-quinolin-4-one?
The InChIKey is VJJTXFIGCVKKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-7-3-4-9-8(5-7)10(13)6-11(12-9)14-2/h3-6H,1-2H3,(H,12,13).
What are the key properties of 6-methyl-2-methylsulfanyl-1H-quinolin-4-one?
6-methyl-2-methylsulfanyl-1H-quinolin-4-one has a molecular weight of 205.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanyl-1H-quinolin-4-one is sourced from PubChem (CID 14319845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).