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Basic information
- Standard SMILES
CC(C)(C)c1ccc(N2CCc3cccc(NCc4ccncc4)c3C2=O)cc1- InChIKey
UBFZXVYANXWBCM-UHFFFAOYSA-N- Molecular formula
- C25H27N3O
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.21541249
Names & identifiers
- Preferred name
- 2-(4-tert-butyl-phenyl)-8-[(pyridin-4-ylmethyl)-amino]-3,4-dihydro-2H-isoquinolin-1-one
- IUPAC
- 2-(4-tert-butylphenyl)-8-(pyridin-4-ylmethylamino)-3,4-dihydroisoquinolin-1-one
Names & synonyms
SCHEMBL4716504UBFZXVYANXWBCM-UHFFFAOYSA-N2-(4-tert-butyl-phenyl)-8-[(pyridin-4-ylmethyl)-amino]-3,4-dihydro-2H-isoquinolin-1-one
Database identifiers
- PubChem CID
- 11639602
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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