6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one

C13H15NO2S — CID 139885156

IUPAC6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
SMILESCSc1ccc2c(c1)CCC(=O)N2CC(C)=O
InChIInChI=1S/C13H15NO2S/c1-9(15)8-14-12-5-4-11(17-2)7-10(12)3-6-13(14)16/h4-5,7H,3,6,8H2,1-2H3
InChIKeyIAJVNSMLFBVSPN-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.28
Rot. Bonds3

About 6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one

6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one (PubChem CID 139885156) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
PubChem CID139885156
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
SMILESCSc1ccc2c(c1)CCC(=O)N2CC(C)=O
InChIInChI=1S/C13H15NO2S/c1-9(15)8-14-12-5-4-11(17-2)7-10(12)3-6-13(14)16/h4-5,7H,3,6,8H2,1-2H3
InChIKeyIAJVNSMLFBVSPN-UHFFFAOYSA-N
XLogP2.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
CID 115234864
N-(3-methylsulfanylphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548644
2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 115218053
6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one
CID 115235513
ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate
CID 63899076
1-(2-cyclopentyl-2-oxoethyl)-6-fluoro-3,4-dihydroquinolin-2-one
CID 104751280
2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 50794846
2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 46206267
5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one
CID 115234861
4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile
CID 117038333
1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711329
2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 94079563

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one (CID 139885156) is 6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one is CSc1ccc2c(c1)CCC(=O)N2CC(C)=O.
What is the InChIKey of 6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one?
The InChIKey is IAJVNSMLFBVSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9(15)8-14-12-5-4-11(17-2)7-10(12)3-6-13(14)16/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of 6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one?
6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one has a molecular weight of 249.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 139885156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).