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Basic information
- Standard SMILES
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CCN(C)CC1- InChIKey
XRUQVQJWTQESAB-UHFFFAOYSA-N- Molecular formula
- C24H28ClFN6O2
- Average molar mass
- 487 g/mol
- Monoisotopic mass
- 486.19463
Names & identifiers
- Preferred name
- 4-(((4-(3-Chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-1-methylpiperidine-4-carboxamide
- IUPAC
- 4-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]-1-methylpiperidine-4-carboxamide
Names & synonyms
CHEMBL207130SCHEMBL4450924XRUQVQJWTQESAB-UHFFFAOYSA-NBDBM501838584-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-1-methylpiperidine-4-carboxamide4-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-methylpiperidine-4-carboxamide
Database identifiers
- PubChem CID
- 11620055
- ChEMBL
CHEMBL207130
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 696
Related reactions
1 records
Compound notes
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