6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one

C15H15NO2S — CID 118184817

IUPAC6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1)CCN(c1cscc1C)C2=O
InChIInChI=1S/C15H15NO2S/c1-10-8-19-9-14(10)16-6-5-11-7-12(18-2)3-4-13(11)15(16)17/h3-4,7-9H,5-6H2,1-2H3
InChIKeySGGPDWRAGFFXMG-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.27
Rot. Bonds2

About 6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one

6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one (PubChem CID 118184817) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one
PubChem CID118184817
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1)CCN(c1cscc1C)C2=O
InChIInChI=1S/C15H15NO2S/c1-10-8-19-9-14(10)16-6-5-11-7-12(18-2)3-4-13(11)15(16)17/h3-4,7-9H,5-6H2,1-2H3
InChIKeySGGPDWRAGFFXMG-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one (CID 118184817) is 6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one is COc1ccc2c(c1)CCN(c1cscc1C)C2=O.
What is the InChIKey of 6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is SGGPDWRAGFFXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-8-19-9-14(10)16-6-5-11-7-12(18-2)3-4-13(11)15(16)17/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one?
6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 273.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methylthiophen-3-yl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 118184817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).