7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one

C15H14N2OS — CID 143087059

IUPAC7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one
SMILESCN(C)c1ccc2cc(-c3cccs3)[nH]c(=O)c2c1
InChIInChI=1S/C15H14N2OS/c1-17(2)11-6-5-10-8-13(14-4-3-7-19-14)16-15(18)12(10)9-11/h3-9H,1-2H3,(H,16,18)
InChIKeyWHUNJFIWDMQECI-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.32
Rot. Bonds2

About 7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one

7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one (PubChem CID 143087059) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one
PubChem CID143087059
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one
SMILESCN(C)c1ccc2cc(-c3cccs3)[nH]c(=O)c2c1
InChIInChI=1S/C15H14N2OS/c1-17(2)11-6-5-10-8-13(14-4-3-7-19-14)16-15(18)12(10)9-11/h3-9H,1-2H3,(H,16,18)
InChIKeyWHUNJFIWDMQECI-UHFFFAOYSA-N
XLogP3.32
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one
CID 122626734
3-(4-aminophenyl)-7-(dimethylamino)-2H-isoquinolin-1-one
CID 134268735
5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one
CID 142730761
7-(dimethylamino)-3-[4-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one
CID 143087063
7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one
CID 143087038
7-[methyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]-3-phenyl-2H-isoquinolin-1-one
CID 58941649
3-(4-methylthiophen-2-yl)-2H-isoquinolin-1-one
CID 69181532
4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 121206455
4-fluoro-7-methyl-2-thiophen-2-yl-1H-indole
CID 131887170
2-thiophen-2-yl-3H-benzo[e]indole
CID 131886269
4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719488
3-methyl-2,5-dithiophen-2-yl-1H-pyrrole
CID 53445362

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one?
The IUPAC name of 7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one (CID 143087059) is 7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one.
What is the SMILES notation for 7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one?
The canonical SMILES for 7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one is CN(C)c1ccc2cc(-c3cccs3)[nH]c(=O)c2c1.
What is the InChIKey of 7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one?
The InChIKey is WHUNJFIWDMQECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-17(2)11-6-5-10-8-13(14-4-3-7-19-14)16-15(18)12(10)9-11/h3-9H,1-2H3,(H,16,18).
What are the key properties of 7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one?
7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one has a molecular weight of 270.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one is sourced from PubChem (CID 143087059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).