8-hydroxy-2H-isoquinolin-3-one

C9H7NO2 — CID 141428402

IUPAC8-hydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2cccc(O)c2c[nH]1
InChIInChI=1S/C9H7NO2/c11-8-3-1-2-6-4-9(12)10-5-7(6)8/h1-5,11H,(H,10,12)
InChIKeyMMKHHVYULZLCHO-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.23
Rot. Bonds

About 8-hydroxy-2H-isoquinolin-3-one

8-hydroxy-2H-isoquinolin-3-one (PubChem CID 141428402) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 8-hydroxy-2H-isoquinolin-3-one.

Molecular Properties

Compound Name8-hydroxy-2H-isoquinolin-3-one
PubChem CID141428402
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name8-hydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2cccc(O)c2c[nH]1
InChIInChI=1S/C9H7NO2/c11-8-3-1-2-6-4-9(12)10-5-7(6)8/h1-5,11H,(H,10,12)
InChIKeyMMKHHVYULZLCHO-UHFFFAOYSA-N
XLogP1.23
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2H-isoquinolin-3-one?
The IUPAC name of 8-hydroxy-2H-isoquinolin-3-one (CID 141428402) is 8-hydroxy-2H-isoquinolin-3-one.
What is the SMILES notation for 8-hydroxy-2H-isoquinolin-3-one?
The canonical SMILES for 8-hydroxy-2H-isoquinolin-3-one is O=c1cc2cccc(O)c2c[nH]1.
What is the InChIKey of 8-hydroxy-2H-isoquinolin-3-one?
The InChIKey is MMKHHVYULZLCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-3-1-2-6-4-9(12)10-5-7(6)8/h1-5,11H,(H,10,12).
What are the key properties of 8-hydroxy-2H-isoquinolin-3-one?
8-hydroxy-2H-isoquinolin-3-one has a molecular weight of 161.16 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2H-isoquinolin-3-one is sourced from PubChem (CID 141428402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).