2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride

C14H15ClN2OS — CID 69004309

IUPAC2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride
SMILESCN(C)Cc1cc2c([nH]c(=O)c3ccccc32)s1.Cl
InChIInChI=1S/C14H14N2OS.ClH/c1-16(2)8-9-7-12-10-5-3-4-6-11(10)13(17)15-14(12)18-9;/h3-7H,8H2,1-2H3,(H,15,17);1H
InChIKeyQNKJJOVHIJOTSJ-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.23
Rot. Bonds2

About 2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride

2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride (PubChem CID 69004309) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride
PubChem CID69004309
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride
SMILESCN(C)Cc1cc2c([nH]c(=O)c3ccccc32)s1.Cl
InChIInChI=1S/C14H14N2OS.ClH/c1-16(2)8-9-7-12-10-5-3-4-6-11(10)13(17)15-14(12)18-9;/h3-7H,8H2,1-2H3,(H,15,17);1H
InChIKeyQNKJJOVHIJOTSJ-UHFFFAOYSA-N
XLogP3.23
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride?
The IUPAC name of 2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride (CID 69004309) is 2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride?
The canonical SMILES for 2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride is CN(C)Cc1cc2c([nH]c(=O)c3ccccc32)s1.Cl.
What is the InChIKey of 2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride?
The InChIKey is QNKJJOVHIJOTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS.ClH/c1-16(2)8-9-7-12-10-5-3-4-6-11(10)13(17)15-14(12)18-9;/h3-7H,8H2,1-2H3,(H,15,17);1H.
What are the key properties of 2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride?
2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride has a molecular weight of 294.81 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride is sourced from PubChem (CID 69004309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).