7-Amino-3-hydroxyisoquinolin-1(2H)-one
Basic information
- CAS
1378260-77-5- Standard SMILES
Nc1ccc2cc(=O)[nH]c(O)c2c1- InChIKey
ZPIBZRULJXPIIS-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 7-Amino-3-hydroxyisoquinolin-1(2H)-one
- IUPAC
- 7-amino-1-hydroxy-2H-isoquinolin-3-one
Names & synonyms
DTXSID2012744861378260-77-57-Amino-3-hydroxyisoquinolin-1(2H)-one1(2H)-Isoquinolinone, 7-amino-3-hydroxy-
Database identifiers
- CAS
1378260-77-5- PubChem CID
- 97033291
- DTXSID
DTXSID201274486
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 400
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Compound notes
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