6-Amino-4-(3-chloro-4-fluoroanilino)quinazoline
Basic information
- Standard SMILES
Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1- InChIKey
HJAGRTPTIMMQPY-UHFFFAOYSA-N- Molecular formula
- C14H10ClFN4
- Average molar mass
- 288.71 g/mol
- Monoisotopic mass
- 288.0578022
Names & identifiers
- Preferred name
- 6-Amino-4-(3-chloro-4-fluoroanilino)quinazoline
- IUPAC
- 4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine
Names & synonyms
6-amino-4-(3-chloro-4-fluoroanilino)quinazoline184356-51-24-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamineCHEMBL242541Afatinib Impurity TN4-(3-chloro-4-fluorophenyl)-4,6-QuinazolinediamineSCHEMBL2991833SCHEMBL29923578SCHEMBL31299934HJAGRTPTIMMQPY-UHFFFAOYSA-NBDBM50363816AKOS013915040
Show more names
DB-3353176-amino-4-(3'-chloro-4'-fluoroanilino)quinazolineN4-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamineN4-(3-chloro-4-fluoro-phenyl)-quinazoline-4,6-diamineN4-(3-chloro-4-fluorophenyl)-quinazoline-4,6-diamine6-Amino-4-[N-(3-chloro-4-fluorophenyl)amino]quinazoline
Database identifiers
- PubChem CID
- 10880751
- ChEMBL
CHEMBL242541
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Experimental & physicochemical properties
LogP2.64
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Related reactions
4 records
Compound notes
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