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Basic information
- Standard SMILES
Cc1ccc(C(=O)NC2CC2)cc1-n1ccc2ccc(Br)cc2c1=O- InChIKey
CAPXJHDHRUCAQN-UHFFFAOYSA-N- Molecular formula
- C20H17BrN2O2
- Average molar mass
- 397.3 g/mol
Names & identifiers
- Preferred name
- 3-(7-bromo-1-oxoisoquinolin-2(1H)-yl)-N-cyclopropyl-4-methylbenzamide
- IUPAC
- 3-(7-bromo-1-oxoisoquinolin-2-yl)-N-cyclopropyl-4-methylbenzamide
Names & synonyms
SCHEMBL1399718CAPXJHDHRUCAQN-UHFFFAOYSA-N3-(7-bromo-1-oxoisoquinolin-2(1H)-yl)-N-cyclopropyl-4-methylbenzamide
Database identifiers
- PubChem CID
- 11596409
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 574
Related reactions
1 records
Compound notes
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