Basic information
- Standard SMILES
COc1ccc(C(=O)N2c3ccccc3C(N3CCc4ccccc4C3)CC2C)cc1OC- InChIKey
FNKVNVKRFOQWMN-UHFFFAOYSA-N- Molecular formula
- C28H30N2O3
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.22564282
Names & identifiers
- Preferred name
- 1-(3,4-Dimethoxybenzoyl)-2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,2,3,4-tetrahydroquinoline
- IUPAC
- [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone
Names & synonyms
SCHEMBL6421834FNKVNVKRFOQWMN-UHFFFAOYSA-N1-(3,4-Dimethoxybenzoyl)-2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,2,3,4-tetrahydroquinoline
Database identifiers
- PubChem CID
- 22339299
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 672
Related reactions
2 records
Compound notes
Loading…