Basic information
- Standard SMILES
COc1ccc(C2=C(c3ccc(OCc4ccc5ccccc5n4)cc3)C(=O)OC2)cc1- InChIKey
YMRLVHWKLHDKJL-UHFFFAOYSA-N- Molecular formula
- C27H21NO4
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.14705815
Names & identifiers
- Preferred name
- 4-(4-methoxyphenyl)-3-(4-(quinolin-2-ylmethoxy)phenyl)furan-2(5H)-one
- IUPAC
- 3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-furan-5-one
Names & synonyms
SCHEMBL1557640YMRLVHWKLHDKJL-UHFFFAOYSA-N4-(4-Methoxyphenyl)-3-(4-(quinolin-2-ylmethoxy)phenyl) furan-2(5H)-one4-(4-methoxyphenyl)-3-(4-(quinolin-2-ylmethoxy)phenyl)furan-2(5H)-one
Database identifiers
- PubChem CID
- 58367997
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 675
Related reactions
3 records
Compound notes
Loading…