Basic information
- Standard SMILES
CN(C)CCOc1ccc(NC(=O)c2ccc(-c3cncc4ccccc34)c3nccnc23)cc1- InChIKey
YVASRGLPWYOKNJ-UHFFFAOYSA-N- Molecular formula
- C28H25N5O2
- Average molar mass
- 463.5 g/mol
Names & identifiers
- Preferred name
- 8-Isoquinolin-4-yl-quinoxaline-5-carboxylic acid [4-(2-dimethylamino-ethoxy)-phenyl]-amide
- IUPAC
- N-[4-[2-(dimethylamino)ethoxy]phenyl]-8-isoquinolin-4-ylquinoxaline-5-carboxamide
Names & synonyms
SCHEMBL1126690YVASRGLPWYOKNJ-UHFFFAOYSA-N8-Isoquinolin-4-yl-quinoxaline-5-carboxylic acid [4-(2-dimethylamino-ethoxy)-phenyl]-amide8-Isoquinolin-4-yl-quinoxaline-5-carboxylic acid [4-(2-dimethylamino-ethoxy)phenyl]-amide
Database identifiers
- PubChem CID
- 44515670
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 682
Related reactions
5 records
Compound notes
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