2-methyl-4-thiophen-2-ylisoquinolin-1-one

C14H11NOS — CID 134987161

IUPAC2-methyl-4-thiophen-2-ylisoquinolin-1-one
SMILESCn1cc(-c2cccs2)c2ccccc2c1=O
InChIInChI=1S/C14H11NOS/c1-15-9-12(13-7-4-8-17-13)10-5-2-3-6-11(10)14(15)16/h2-9H,1H3
InChIKeyLGXNFNYXNQEHSB-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.27
Rot. Bonds1

About 2-methyl-4-thiophen-2-ylisoquinolin-1-one

2-methyl-4-thiophen-2-ylisoquinolin-1-one (PubChem CID 134987161) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-methyl-4-thiophen-2-ylisoquinolin-1-one.

Molecular Properties

Compound Name2-methyl-4-thiophen-2-ylisoquinolin-1-one
PubChem CID134987161
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name2-methyl-4-thiophen-2-ylisoquinolin-1-one
SMILESCn1cc(-c2cccs2)c2ccccc2c1=O
InChIInChI=1S/C14H11NOS/c1-15-9-12(13-7-4-8-17-13)10-5-2-3-6-11(10)14(15)16/h2-9H,1H3
InChIKeyLGXNFNYXNQEHSB-UHFFFAOYSA-N
XLogP3.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiophen-2-ylisoquinolin-1-one?
The IUPAC name of 2-methyl-4-thiophen-2-ylisoquinolin-1-one (CID 134987161) is 2-methyl-4-thiophen-2-ylisoquinolin-1-one.
What is the SMILES notation for 2-methyl-4-thiophen-2-ylisoquinolin-1-one?
The canonical SMILES for 2-methyl-4-thiophen-2-ylisoquinolin-1-one is Cn1cc(-c2cccs2)c2ccccc2c1=O.
What is the InChIKey of 2-methyl-4-thiophen-2-ylisoquinolin-1-one?
The InChIKey is LGXNFNYXNQEHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-15-9-12(13-7-4-8-17-13)10-5-2-3-6-11(10)14(15)16/h2-9H,1H3.
What are the key properties of 2-methyl-4-thiophen-2-ylisoquinolin-1-one?
2-methyl-4-thiophen-2-ylisoquinolin-1-one has a molecular weight of 241.32 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-2-ylisoquinolin-1-one is sourced from PubChem (CID 134987161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).