Basic information
- Standard SMILES
COc1cc2ncnc(NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)c2cc1OC- InChIKey
BXAZUSTWIFOWPZ-UHFFFAOYSA-N- Molecular formula
- C26H21ClN4O3
- Average molar mass
- 472.9 g/mol
- Monoisotopic mass
- 472.1302182
Names & identifiers
- Preferred name
- 7-Chloro-3-[(6,7-dimethoxy-quinazolin-4-ylamino)-methyl]-1-phenyl-1H-quinolin-4-one
- IUPAC
- 7-chloro-3-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]-1-phenylquinolin-4-one
Names & synonyms
CHEMBL3679590SCHEMBL14575914BXAZUSTWIFOWPZ-UHFFFAOYSA-NBDBM100611US8501732, I-1717-Chloro-3-[(6,7-dimethoxy-quinazolin-4-ylamino)-methyl]-1-phenyl-1H-quinolin-4-one
Database identifiers
- PubChem CID
- 71208663
- ChEMBL
CHEMBL3679590
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 746
Related reactions
2 records
Compound notes
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