Basic information
- Standard SMILES
Cc1ccc(C(=O)Nc2ccon2)cc1-n1ccc2ccc(CCCN(C)C)cc2c1=O- InChIKey
BSKJWPVUPLJPTD-UHFFFAOYSA-N- Molecular formula
- C25H26N4O3
- Average molar mass
- 430.5 g/mol
Names & identifiers
- Preferred name
- 3-[7-[3-(dimethylamino)propyl]-1-oxoisoquinolin-2(1H)-yl]-N-isoxazol-3-yl-4-methylbenzamide
- IUPAC
- 3-[7-[3-(dimethylamino)propyl]-1-oxoisoquinolin-2-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
Names & synonyms
SCHEMBL1399752BSKJWPVUPLJPTD-UHFFFAOYSA-N3-[7-[3-(dimethylamino)propyl]-1-oxoisoquinolin-2(1H)-yl]-N-isoxazol-3-yl-4-methylbenzamide
Database identifiers
- PubChem CID
- 11626141
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 697
Related reactions
2 records
Compound notes
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