4-Quinazolinamine, N-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-6-iodo-
Basic information
- CAS
1393175-04-6- Standard SMILES
Fc1ccccc1COc1ccc(Nc2ncnc3ccc(I)cc23)cc1Cl- InChIKey
SLYTXMGZEJAOPZ-UHFFFAOYSA-N- Molecular formula
- C21H14ClFIN3O
- Average molar mass
- 505.7 g/mol
- Monoisotopic mass
- 504.98542
Names & identifiers
- Preferred name
- 4-Quinazolinamine, N-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-6-iodo-
- IUPAC
- N-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine
Names & synonyms
TCMDC-1386271393175-04-6CHEMBL546731SCHEMBL13966845DTXSID6011478854-Quinazolinamine, N-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-6-iodo-N-{3-Chloro-4-[(2-fluorophenyl)methoxy]phenyl}-6-iodoquinazolin-4-amine
Database identifiers
- CAS
1393175-04-6- PubChem CID
- 44532707
- DTXSID
DTXSID601147885- ChEMBL
CHEMBL546731
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 504
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Compound notes
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