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

C14H15BrN2O2S — CID 67072266

IUPAC2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrobromide
SMILESBr.CN(C)Cc1cc2c([nH]c(=O)c3cccc(O)c32)s1
InChIInChI=1S/C14H14N2O2S.BrH/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
InChIKeyZUZXFEFLTIBJAB-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.09
Rot. Bonds2

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

2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrobromide (PubChem CID 67072266) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrobromide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrobromide
PubChem CID67072266
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrobromide
SMILESBr.CN(C)Cc1cc2c([nH]c(=O)c3cccc(O)c32)s1
InChIInChI=1S/C14H14N2O2S.BrH/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
InChIKeyZUZXFEFLTIBJAB-UHFFFAOYSA-N
XLogP3.09
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Ots964
CID 67448186
8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 161231673
2-((dimethylamino)methyl)-9-hydroxythieno(2,3-c)isoquinolin-5(4H)-one
CID 44537943
2-Dimethylaminomethyl-9-hydroxy-4h-thieno[2,3-c]isoquinolin-5-one-hydrochloride
CID 67072231
2-[(dimethylamino)methyl]-7-fluoro-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one
CID 44600821
8-Hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)thieno[2,3-c]quinolin-4(5H)-one
CID 53472762
9-{4-[2-(Dimethylamino)ethyl]phenyl}-8-hydroxythieno[2,3-c]quinolin-4(5H)-one
CID 53472806
7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one
CID 58024724
2-[(dimethylamino)methyl]-7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one
CID 58024741
9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67448904
9-{4-[(Dimethylamino)methyl]phenyl}-8-hydroxythieno[2,3-c]quinolin-4(5H)-one
CID 67449038
9-{4-[(Diethylamino)methyl]phenyl}-8-hydroxythieno[2,3-c]quinolin-4(5H)-one
CID 67450195

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrobromide?
The IUPAC name of 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrobromide (CID 67072266) is 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrobromide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrobromide?
The canonical SMILES for 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrobromide is Br.CN(C)Cc1cc2c([nH]c(=O)c3cccc(O)c32)s1.
What is the InChIKey of 2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrobromide?
The InChIKey is ZUZXFEFLTIBJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S.BrH/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;hydrobromide?
2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrobromide has a molecular weight of 355.26 g/mol, XLogP of 3.09, 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;hydrobromide is sourced from PubChem (CID 67072266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).