6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one

C19H22N2O2S — CID 74230018

IUPAC6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one
SMILESCSc1ccc2c(c1)CCN(C(=O)CCn1c(C)cccc1=O)C2
InChIInChI=1S/C19H22N2O2S/c1-14-4-3-5-19(23)21(14)11-9-18(22)20-10-8-15-12-17(24-2)7-6-16(15)13-20/h3-7,12H,8-11,13H2,1-2H3
InChIKeyPHBRHJQTXRDFDM-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.85
Rot. Bonds4

About 6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one

6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one (PubChem CID 74230018) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one
PubChem CID74230018
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one
SMILESCSc1ccc2c(c1)CCN(C(=O)CCn1c(C)cccc1=O)C2
InChIInChI=1S/C19H22N2O2S/c1-14-4-3-5-19(23)21(14)11-9-18(22)20-10-8-15-12-17(24-2)7-6-16(15)13-20/h3-7,12H,8-11,13H2,1-2H3
InChIKeyPHBRHJQTXRDFDM-UHFFFAOYSA-N
XLogP2.85
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one with MolForge

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Related Compounds

1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 56879087
1-[3-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 133121133
1-[3-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 131936203
1-(5-methylsulfanyl-1,3-dihydroisoindol-2-yl)ethanone
CID 142024980
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110852332
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 18108216
6-methyl-1-(4-oxopentyl)pyridin-2-one
CID 62023067
(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 118791862
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylpropan-1-one
CID 110688293
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2R)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 99827142
6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one
CID 74232921
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one?
The IUPAC name of 6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one (CID 74230018) is 6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one is CSc1ccc2c(c1)CCN(C(=O)CCn1c(C)cccc1=O)C2.
What is the InChIKey of 6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one?
The InChIKey is PHBRHJQTXRDFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14-4-3-5-19(23)21(14)11-9-18(22)20-10-8-15-12-17(24-2)7-6-16(15)13-20/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of 6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one?
6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one has a molecular weight of 342.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 74230018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).