7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one

C13H17NO2S — CID 50970426

IUPAC7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCSCCC1CC(=O)Nc2cc(O)c(C)cc21
InChIInChI=1S/C13H17NO2S/c1-8-5-10-9(3-4-17-2)6-13(16)14-11(10)7-12(8)15/h5,7,9,15H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyWDXNUYMMZPFGAT-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.88
Rot. Bonds3

About 7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one

7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 50970426) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID50970426
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCSCCC1CC(=O)Nc2cc(O)c(C)cc21
InChIInChI=1S/C13H17NO2S/c1-8-5-10-9(3-4-17-2)6-13(16)14-11(10)7-12(8)15/h5,7,9,15H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyWDXNUYMMZPFGAT-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-Hydroxy-3,4-dihydrocarbostyril
CID 2785758
3,4-Dihydro-5-hydroxy-2(1H)-quinolinone
CID 169153
7-Hydroxy-6-iodo-1,2,3,4-tetrahydroquinolin-2-one
CID 71668438
(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one
CID 95166962
(4S)-4-(3,4-difluorophenyl)-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 97547845
4-(4-fluorophenyl)-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 51138420
4-(3-fluorophenyl)-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 51138491
7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2(1H)-one
CID 91973089
4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 59719007
7-fluoro-5-hydroxy-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 118904863
8-Ethyl-7-fluoro-5-hydroxy-3,4-dihydroquinolin-2(1H)-one
CID 118904957
6-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 130006611

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one (CID 50970426) is 7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one is CSCCC1CC(=O)Nc2cc(O)c(C)cc21.
What is the InChIKey of 7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WDXNUYMMZPFGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-8-5-10-9(3-4-17-2)6-13(16)14-11(10)7-12(8)15/h5,7,9,15H,3-4,6H2,1-2H3,(H,14,16).
What are the key properties of 7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one?
7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 251.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methyl-4-(2-methylsulfanylethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 50970426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).