Basic information
- Standard SMILES
OC1(C#Cc2ccc3ncnc(Nc4ccc(Oc5ccccc5)cc4)c3c2)CCOCC1- InChIKey
MJDQWCIVTNBQOH-UHFFFAOYSA-N- Molecular formula
- C27H23N3O3
- Average molar mass
- 437.5 g/mol
Names & identifiers
- Preferred name
- 4-[2-[4-(4-Phenoxyanilino)quinazolin-6-yl]ethynyl]oxan-4-ol
- IUPAC
- 4-[2-[4-(4-phenoxyanilino)quinazolin-6-yl]ethynyl]oxan-4-ol
Database identifiers
- PubChem CID
- 15550487
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 683
Related reactions
1 records
Compound notes
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