6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one

C13H13NO2 — CID 170477313

IUPAC6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one
SMILESO=c1cc2cc(C=CCCO)ccc2c[nH]1
InChIInChI=1S/C13H13NO2/c15-6-2-1-3-10-4-5-11-9-14-13(16)8-12(11)7-10/h1,3-5,7-9,15H,2,6H2,(H,14,16)
InChIKeyOGCCBAWMXYZLOV-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.92
Rot. Bonds3

About 6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one

6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one (PubChem CID 170477313) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one.

Molecular Properties

Compound Name6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one
PubChem CID170477313
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one
SMILESO=c1cc2cc(C=CCCO)ccc2c[nH]1
InChIInChI=1S/C13H13NO2/c15-6-2-1-3-10-4-5-11-9-14-13(16)8-12(11)7-10/h1,3-5,7-9,15H,2,6H2,(H,14,16)
InChIKeyOGCCBAWMXYZLOV-UHFFFAOYSA-N
XLogP1.92
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one 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

6-(4-chlorobut-1-enyl)-2H-isoquinolin-3-one
CID 170499890
N-[3-(3-oxo-2H-isoquinolin-6-yl)prop-2-enyl]acetamide
CID 169466218
S-[3-(3-oxo-2H-isoquinolin-6-yl)prop-2-enyl] ethanethioate
CID 169457974
4-naphthalen-2-ylbut-3-en-1-ol
CID 54291326
4-(1H-indol-6-yl)but-3-en-1-ol
CID 170476703
6-hydroxy-2H-isoquinolin-3-one
CID 57268567
6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one
CID 170477339
4-(1H-indazol-5-yl)but-3-en-1-ol
CID 170476685
5-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one
CID 169454229
(E)-5-naphthalen-2-ylpent-4-en-1-ol
CID 11252836
2-(4-hydroxybut-1-enyl)fluoren-9-one
CID 170477537
6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one
CID 170476722

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one?
The IUPAC name of 6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one (CID 170477313) is 6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one.
What is the SMILES notation for 6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one?
The canonical SMILES for 6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one is O=c1cc2cc(C=CCCO)ccc2c[nH]1.
What is the InChIKey of 6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one?
The InChIKey is OGCCBAWMXYZLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-6-2-1-3-10-4-5-11-9-14-13(16)8-12(11)7-10/h1,3-5,7-9,15H,2,6H2,(H,14,16).
What are the key properties of 6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one?
6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one has a molecular weight of 215.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one is sourced from PubChem (CID 170477313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).