5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one

C14H11NOS — CID 142730761

IUPAC5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one
SMILESCc1cccc2c(=O)[nH]c(-c3cccs3)cc12
InChIInChI=1S/C14H11NOS/c1-9-4-2-5-10-11(9)8-12(15-14(10)16)13-6-3-7-17-13/h2-8H,1H3,(H,15,16)
InChIKeyYUNRPDHYLUAJEK-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.57
Rot. Bonds1

About 5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one

5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one (PubChem CID 142730761) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one
PubChem CID142730761
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one
SMILESCc1cccc2c(=O)[nH]c(-c3cccs3)cc12
InChIInChI=1S/C14H11NOS/c1-9-4-2-5-10-11(9)8-12(15-14(10)16)13-6-3-7-17-13/h2-8H,1H3,(H,15,16)
InChIKeyYUNRPDHYLUAJEK-UHFFFAOYSA-N
XLogP3.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2,5-dithiophen-2-yl-1H-pyrrole
CID 53445362
4-fluoro-7-methyl-2-thiophen-2-yl-1H-indole
CID 131887170
7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one
CID 143087059
3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one
CID 142740971
4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 139229492
3-(aminomethyl)-5-methyl-2H-isoquinolin-1-one
CID 84618695
3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione
CID 22971523
4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 121206455
4,7-difluoro-2-thiophen-2-yl-1H-indole
CID 131867723
2-thiophen-2-yl-3H-benzo[e]indole
CID 131886269
methyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 114517663
3-(2-aminoethyl)-5-methyl-2H-isoquinolin-1-one
CID 84619894

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one?
The IUPAC name of 5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one (CID 142730761) is 5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one.
What is the SMILES notation for 5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one?
The canonical SMILES for 5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one is Cc1cccc2c(=O)[nH]c(-c3cccs3)cc12.
What is the InChIKey of 5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one?
The InChIKey is YUNRPDHYLUAJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-9-4-2-5-10-11(9)8-12(15-14(10)16)13-6-3-7-17-13/h2-8H,1H3,(H,15,16).
What are the key properties of 5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one?
5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one has a molecular weight of 241.31 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one is sourced from PubChem (CID 142730761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).