4-[({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-methylpiperidine-4-carboxylic acid
Basic information
- Standard SMILES
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(=O)O)CCN(C)CC1- InChIKey
SZIMCLOLRGQARS-UHFFFAOYSA-N- Molecular formula
- C24H27ClFN5O3
- Average molar mass
- 488 g/mol
Names & identifiers
- Preferred name
- 4-[({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-methylpiperidine-4-carboxylic acid
- IUPAC
- 4-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]-1-methylpiperidine-4-carboxylic acid
Names & synonyms
SCHEMBL4446992SZIMCLOLRGQARS-UHFFFAOYSA-N4-[({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-methylpiperidine-4-carboxylic acid
Database identifiers
- PubChem CID
- 57979804
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 698
Related reactions
2 records
Compound notes
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