Basic information
- Standard SMILES
COc1cc2c(c(OC)c1)C(Cc1ccc(F)cc1)N(CCNC(=O)Nc1cc(C)nc3ccccc13)CC2- InChIKey
SXOLGZSJYMSVIZ-UHFFFAOYSA-N- Molecular formula
- C31H33FN4O3
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.25366909
Names & identifiers
- Preferred name
- 1-{2-[1-(4-Fluoro-benzyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-ethyl}-3-(2-methyl-quinolin-4-yl)-urea
- IUPAC
- 1-[2-[1-[(4-fluorophenyl)methyl]-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
Names & synonyms
SCHEMBL6392501SXOLGZSJYMSVIZ-UHFFFAOYSA-N1-{2-[1-(4-Fluoro-benzyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-ethyl}-3-(2-methyl-quinolin-4-yl)-urea
Database identifiers
- PubChem CID
- 10301945
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 781
Related reactions
2 records
Compound notes
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