Basic information
- Standard SMILES
COc1cc2ncnc(C3CCN(C(=O)Cc4ccc(C(C)C)cc4)CC3)c2cc1OC- InChIKey
YBWRGRLJHFEMGY-UHFFFAOYSA-N- Molecular formula
- C26H31N3O3
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.23654186
Names & identifiers
- Preferred name
- 1-[4-(6,7-Dimethoxy-quinazolin-4-yl)-piperidin-1-yl]-2-(4-isopropyl-phenyl)-ethanone
- IUPAC
- 1-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
Names & synonyms
SCHEMBL4973701YBWRGRLJHFEMGY-UHFFFAOYSA-N1-[4-(6,7-dimethoxy-quinazolin-4-yl)-piperidin-1-yl]-2-(4-isopropyl-phenyl)-ethanone
Database identifiers
- PubChem CID
- 58770713
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 599
Related reactions
2 records
Compound notes
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