Basic information
- Standard SMILES
C[C@H](CO)n1ccc2c([N+](=O)[O-])c(C3CC3)ccc2c1=O- InChIKey
KAOGLTJJFLERPG-SECBINFHSA-N- Molecular formula
- C15H16N2O4
- Average molar mass
- 288.3 g/mol
Names & identifiers
- Preferred name
- (R)-6-cyclopropyl-2-(1-hydroxypropan-2-yl)-5-nitroisoquinolin-1(2H)-one
- IUPAC
- 6-cyclopropyl-2-[(2R)-1-hydroxypropan-2-yl]-5-nitroisoquinolin-1-one
Names & synonyms
SCHEMBL307153KAOGLTJJFLERPG-SECBINFHSA-N(R)-6-cyclopropyl-2-(1-hydroxypropan-2-yl)-5-nitroisoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 59515744
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 469
Related reactions
2 records
Compound notes
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