5-hydroxy-4H-isoquinolin-1-one

C9H7NO2 — CID 66811740

IUPAC5-hydroxy-4H-isoquinolin-1-one
SMILESO=C1N=CCc2c(O)cccc21
InChIInChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-3,5,11H,4H2
InChIKeyCZNCPDOFCRAVBO-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.16
Rot. Bonds

About 5-hydroxy-4H-isoquinolin-1-one

5-hydroxy-4H-isoquinolin-1-one (PubChem CID 66811740) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-hydroxy-4H-isoquinolin-1-one.

Molecular Properties

Compound Name5-hydroxy-4H-isoquinolin-1-one
PubChem CID66811740
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name5-hydroxy-4H-isoquinolin-1-one
SMILESO=C1N=CCc2c(O)cccc21
InChIInChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-3,5,11H,4H2
InChIKeyCZNCPDOFCRAVBO-UHFFFAOYSA-N
XLogP1.16
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4H-isoquinolin-1-one?
The IUPAC name of 5-hydroxy-4H-isoquinolin-1-one (CID 66811740) is 5-hydroxy-4H-isoquinolin-1-one.
What is the SMILES notation for 5-hydroxy-4H-isoquinolin-1-one?
The canonical SMILES for 5-hydroxy-4H-isoquinolin-1-one is O=C1N=CCc2c(O)cccc21.
What is the InChIKey of 5-hydroxy-4H-isoquinolin-1-one?
The InChIKey is CZNCPDOFCRAVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-3,5,11H,4H2.
What are the key properties of 5-hydroxy-4H-isoquinolin-1-one?
5-hydroxy-4H-isoquinolin-1-one has a molecular weight of 161.16 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4H-isoquinolin-1-one is sourced from PubChem (CID 66811740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).