Basic information
- Standard SMILES
COc1cc2nccc(Oc3cc(C)c(NC(=S)NCCCN4CCCCC4C)cc3C)c2cc1OC- InChIKey
USMKGSNQNWDOOQ-UHFFFAOYSA-N- Molecular formula
- C29H38N4O3S
- Average molar mass
- 522.7 g/mol
- Monoisotopic mass
- 522.26646226
Names & identifiers
- Preferred name
- N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,5-dimethylphenyl}-N'-[3-(2-methylpiperidinyl)propyl]thiourea
- IUPAC
- 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea
Names & synonyms
SCHEMBL5824536USMKGSNQNWDOOQ-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,5-dimethylphenyl}-N'-[3-(2-methylpiperidinyl)propyl]-thioureaN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,5-dimethylphenyl}-N'-[3-(2-methylpiperidinyl)propyl]thiourea
Database identifiers
- PubChem CID
- 21890499
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 715
Related reactions
2 records
Compound notes
Loading…