4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-benzyloxyquinoline
Completing data — refresh the page later to see the latest
Basic information
- CAS
1210828-43-5- Standard SMILES
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCc1ccccc1- InChIKey
YBGYWKFUCGAHFQ-UHFFFAOYSA-N- Molecular formula
- C26H21FN2O3
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.1536207
Names & identifiers
- Preferred name
- 4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-benzyloxyquinoline
- IUPAC
- 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-phenylmethoxyquinoline
- English name
- 4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-benzyloxyquinoline
- Molecular formula
- C26H21FN2O3
- Molecular weight
- 428.46
Names & synonyms
4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-benzyloxyquinolineSCHEMBL1549606SCHEMBL29902474YBGYWKFUCGAHFQ-UHFFFAOYSA-N1210828-43-54-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-benzyloxy...-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-benzyloxyquinoline7-(benzyloxy)-4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxyquinolineQuinoline, 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(phenylmethoxy)-
Database identifiers
- CAS
1210828-43-5- PubChem CID
- 59200747
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 604
Physicochemical properties
- Boiling point
- 605.4 · 605.4±55.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- pka
- 16.15 · 16.15±0.30(Predicted)
Related reactions
3 records
Compound notes
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