1,5-dihydroxy-2H-isoquinolin-3-one

C9H7NO3 — CID 54048310

IUPAC1,5-dihydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2c(O)cccc2c(O)[nH]1
InChIInChI=1S/C9H7NO3/c11-7-3-1-2-5-6(7)4-8(12)10-9(5)13/h1-4,11H,(H2,10,12,13)
InChIKeyLRCSNWPRWJNNIF-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.94
Rot. Bonds

About 1,5-dihydroxy-2H-isoquinolin-3-one

1,5-dihydroxy-2H-isoquinolin-3-one (PubChem CID 54048310) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1,5-dihydroxy-2H-isoquinolin-3-one.

Molecular Properties

Compound Name1,5-dihydroxy-2H-isoquinolin-3-one
PubChem CID54048310
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name1,5-dihydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2c(O)cccc2c(O)[nH]1
InChIInChI=1S/C9H7NO3/c11-7-3-1-2-5-6(7)4-8(12)10-9(5)13/h1-4,11H,(H2,10,12,13)
InChIKeyLRCSNWPRWJNNIF-UHFFFAOYSA-N
XLogP0.94
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Isoquinolinediol
CID 251596
Tetrahydroxy isoquinoline
CID 18401110
1-hydroxy-2H-benzo[g]isoquinolin-3-one
CID 91372494
6-fluoro-1-hydroxy-2H-isoquinolin-3-one
CID 90817847
Tetrahydroxyisoquinolone
CID 134813939
7-Fluoroisoquinoline-1,3-diol
CID 133058383
5-ethyl-4,6-dihydroxy-1H-pyridin-2-one
CID 68981775
1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid
CID 91261818
5-hydroxy-2H-isoquinolin-3-one
CID 103351525
6-chloro-4-hydroxy-5-prop-2-enyl-1H-pyridin-2-one
CID 118865367
8-Hydroxyisoquinolin-3(2H)-one
CID 141428402
1-hydroxy-6-methyl-2H-isoquinolin-3-one
CID 142195663

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxy-2H-isoquinolin-3-one?
The IUPAC name of 1,5-dihydroxy-2H-isoquinolin-3-one (CID 54048310) is 1,5-dihydroxy-2H-isoquinolin-3-one.
What is the SMILES notation for 1,5-dihydroxy-2H-isoquinolin-3-one?
The canonical SMILES for 1,5-dihydroxy-2H-isoquinolin-3-one is O=c1cc2c(O)cccc2c(O)[nH]1.
What is the InChIKey of 1,5-dihydroxy-2H-isoquinolin-3-one?
The InChIKey is LRCSNWPRWJNNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-7-3-1-2-5-6(7)4-8(12)10-9(5)13/h1-4,11H,(H2,10,12,13).
What are the key properties of 1,5-dihydroxy-2H-isoquinolin-3-one?
1,5-dihydroxy-2H-isoquinolin-3-one has a molecular weight of 177.16 g/mol, XLogP of 0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxy-2H-isoquinolin-3-one is sourced from PubChem (CID 54048310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).