Basic information
- Standard SMILES
O[C@H]1c2cc(OCc3ccc4ccccc4n3)ccc2OC[C@H]1Oc1cccnc1- InChIKey
MQFNEGDKIFDULD-RPWUZVMVSA-N- Molecular formula
- C24H20N2O4
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.14230712
Names & identifiers
- Preferred name
- (+/-)-cis-3-(3-Pyridyloxy)-6-(2-quinolyl)methoxy-4-chromanol
- IUPAC
- (3R,4S)-3-pyridin-3-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
Names & synonyms
SCHEMBL8522473MQFNEGDKIFDULD-RPWUZVMVSA-N(+/-)-cis-3-(3-Pyridyloxy)-6-(2-quinolyl)methoxy-4-chromanol
Database identifiers
- PubChem CID
- 67612913
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 549
Related reactions
1 records
Compound notes
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