4-(3-Chloro-4-(3-fluorobenzyloxy)phenylamino)-6-(1-hydroxyethan-1-yl)quinazoline
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Basic information
- Standard SMILES
CC(O)c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1- InChIKey
JDKDOAUKIYCARG-UHFFFAOYSA-N- Molecular formula
- C23H19ClFN3O2
- Average molar mass
- 423.9 g/mol
- Monoisotopic mass
- 423.1149827
Names & identifiers
- Preferred name
- 4-(3-Chloro-4-(3-fluorobenzyloxy)phenylamino)-6-(1-hydroxyethan-1-yl)quinazoline
- IUPAC
- 1-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]ethanol
Names & synonyms
SCHEMBL3709666JDKDOAUKIYCARG-UHFFFAOYSA-N4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6-(1-hydroxyethan-1-yl)quinazoline
Database identifiers
- PubChem CID
- 57733813
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 545
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Related reactions
3 records
Compound notes
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