1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C15H15NOS — CID 71417545

IUPAC1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCC(=O)N1CCc2ccccc2C1c1cccs1
InChIInChI=1S/C15H15NOS/c1-11(17)16-9-8-12-5-2-3-6-13(12)15(16)14-7-4-10-18-14/h2-7,10,15H,8-9H2,1H3
InChIKeyJBQILCDTDJSLTM-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.24
Rot. Bonds1

About 1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 71417545) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID71417545
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCC(=O)N1CCc2ccccc2C1c1cccs1
InChIInChI=1S/C15H15NOS/c1-11(17)16-9-8-12-5-2-3-6-13(12)15(16)14-7-4-10-18-14/h2-7,10,15H,8-9H2,1H3
InChIKeyJBQILCDTDJSLTM-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 5263889
[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
CID 42691566
2,2,2-trifluoro-1-(6-methoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 18172472
5-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 906765
1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanylethanone
CID 112793874
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
CID 110288971
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(2-fluorophenyl)methanone
CID 8504259
(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 3250273
1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenylphenoxy)ethanone
CID 42905440
1-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyridin-2-one
CID 78863058
(E)-3-(3,4-dimethoxyphenyl)-1-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 2346046
N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide
CID 9074692

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 71417545) is 1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is CC(=O)N1CCc2ccccc2C1c1cccs1.
What is the InChIKey of 1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is JBQILCDTDJSLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11(17)16-9-8-12-5-2-3-6-13(12)15(16)14-7-4-10-18-14/h2-7,10,15H,8-9H2,1H3.
What are the key properties of 1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 257.36 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 71417545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).