Basic information
- Standard SMILES
Cc1cc(CO)c(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1- InChIKey
HHQOCXGECGHZPO-UHFFFAOYSA-N- Molecular formula
- C21H19FN2O2
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- N-(7-(5-fluoro-4-(hydroxymethyl)-2-methylphenyl)isoquinolin-3-yl)cyclopropanecarboxamide
- IUPAC
- N-[7-[5-fluoro-4-(hydroxymethyl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
Names & synonyms
SCHEMBL9939098HHQOCXGECGHZPO-UHFFFAOYSA-NN-(7-(5-fluoro-4-(hydroxymethyl)-2-methylphenyl)isoquinolin-3-yl)cyclopropanecarboxamide
Database identifiers
- PubChem CID
- 67974756
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Related reactions
2 records
Compound notes
Loading…