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Basic information
- Standard SMILES
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(C(=O)OC(C)(C)C)C1- InChIKey
QKNAVHLNOPIWDQ-UHFFFAOYSA-N- Molecular formula
- C24H26ClFN4O4
- Average molar mass
- 488.9 g/mol
- Monoisotopic mass
- 488.1626612
Names & identifiers
- Preferred name
- Tert-butyl 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL6436466
Database identifiers
- PubChem CID
- 69780490
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 698
Related reactions
1 records
Compound notes
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