N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[6-(dimethylamino)quinolin-4-yl]amino]benzamide
Basic information
- Standard SMILES
Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccc(N(C)C)cc45)cc3)cc2)nc(N)n1- InChIKey
RYKZNTSPBNUUQR-UHFFFAOYSA-N- Molecular formula
- C29H28N8O
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.23860755
Names & identifiers
- Preferred name
- N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[6-(dimethylamino)quinolin-4-yl]amino]benzamide
- IUPAC
- N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[6-(dimethylamino)quinolin-4-yl]amino]benzamide
Names & synonyms
SCHEMBL3791927CHEMBL2385826
Database identifiers
- PubChem CID
- 59458014
- ChEMBL
CHEMBL2385826
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 751
Related reactions
1 records
Compound notes
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