Basic information
- Standard SMILES
COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5)CC4)c(C)c3)c2cc1OC- InChIKey
JHUUVBJVWUNKGK-UHFFFAOYSA-N- Molecular formula
- C31H34N4O4
- Average molar mass
- 526.6 g/mol
- Monoisotopic mass
- 526.25800558
Names & identifiers
- Preferred name
- N-(1-Benzyl-4-piperidyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-methylphenyl]urea
- IUPAC
- 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]urea
Names & synonyms
N-(1-Benzyl-4-piperidyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-methylphenyl]ureaN-(1-Benzyl-4-piperidyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-methylphenyl}ureaSCHEMBL5824479JHUUVBJVWUNKGK-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21890434
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 757
Related reactions
2 records
Compound notes
Loading…