2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride

C14H15ClN2O2S — CID 67072231

IUPAC2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride
SMILESCN(C)Cc1cc2c([nH]c(=O)c3cccc(O)c32)s1.Cl
InChIInChI=1S/C14H14N2O2S.ClH/c1-16(2)7-8-6-10-12-9(4-3-5-11(12)17)13(18)15-14(10)19-8;/h3-6,17H,7H2,1-2H3,(H,15,18);1H
InChIKeyOYBQYYSQLCYMJQ-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.93
Rot. Bonds2

About 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride

2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride (PubChem CID 67072231) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride
PubChem CID67072231
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride
SMILESCN(C)Cc1cc2c([nH]c(=O)c3cccc(O)c32)s1.Cl
InChIInChI=1S/C14H14N2O2S.ClH/c1-16(2)7-8-6-10-12-9(4-3-5-11(12)17)13(18)15-14(10)19-8;/h3-6,17H,7H2,1-2H3,(H,15,18);1H
InChIKeyOYBQYYSQLCYMJQ-UHFFFAOYSA-N
XLogP2.93
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride?
The IUPAC name of 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride (CID 67072231) is 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride?
The canonical SMILES for 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride is CN(C)Cc1cc2c([nH]c(=O)c3cccc(O)c32)s1.Cl.
What is the InChIKey of 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride?
The InChIKey is OYBQYYSQLCYMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S.ClH/c1-16(2)7-8-6-10-12-9(4-3-5-11(12)17)13(18)15-14(10)19-8;/h3-6,17H,7H2,1-2H3,(H,15,18);1H.
What are the key properties of 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride?
2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride has a molecular weight of 310.81 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrochloride is sourced from PubChem (CID 67072231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).