4-{3-[(4-Methoxy-benzoyl)-methyl-amino]-benzylamino}-quinazoline-8-carboxylic acid methyl ester
Basic information
- Standard SMILES
COC(=O)c1cccc2c(NCc3cccc(N(C)C(=O)c4ccc(OC)cc4)c3)ncnc12- InChIKey
KUAFHKVSEUQECY-UHFFFAOYSA-N- Molecular formula
- C26H24N4O4
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.17975526
Names & identifiers
- Preferred name
- 4-{3-[(4-Methoxy-benzoyl)-methyl-amino]-benzylamino}-quinazoline-8-carboxylic acid methyl ester
- IUPAC
- methyl 4-[[3-[(4-methoxybenzoyl)-methylamino]phenyl]methylamino]quinazoline-8-carboxylate
Names & synonyms
SCHEMBL666382KUAFHKVSEUQECY-UHFFFAOYSA-N4-{3-[(4-Methoxy-benzoyl)-methyl-amino]-benzylamino}-quinazoline-8-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 66763536
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 684
Related reactions
4 records
Compound notes
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