Basic information
- Standard SMILES
Fc1ccc(Nc2ncnc3ccc(OCCCN4CCCC4)cc23)cc1Cl- InChIKey
INUGPJHUQILTNU-UHFFFAOYSA-N- Molecular formula
- C21H22ClFN4O
- Average molar mass
- 400.9 g/mol
Names & identifiers
- Preferred name
- 4-(3'-Chloro-4'-fluoroanilino)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
- IUPAC
- N-(3-chloro-4-fluorophenyl)-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
Names & synonyms
SCHEMBL7766270INUGPJHUQILTNU-UHFFFAOYSA-N4-(3'-chloro-4'-fluoroanilino)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
Database identifiers
- PubChem CID
- 21223905
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 481
Related reactions
2 records
Compound notes
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