Basic information
- Standard SMILES
COC(=O)[C@H]1C[C@H](Nc2nc(-c3cc(F)ccc3O)nc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C- InChIKey
RXDURYKCGAXHGM-MGPUTAFESA-N- Molecular formula
- C26H29FN4O6
- Average molar mass
- 512.5 g/mol
Names & identifiers
- Preferred name
- (2R,4S)-1-tert-butyl 2-methyl 4-(2-(5-fluoro-2-hydroxyphenyl)-7-methoxyquinazolin-4-ylamino)pyrrolidine-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-(5-fluoro-2-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]pyrrolidine-1,2-dicarboxylate
Names & synonyms
SCHEMBL2332330RXDURYKCGAXHGM-MGPUTAFESA-N(2R,4S)-1-tert-butyl 2-methyl 4-(2-(5-fluoro-2-hydroxyphenyl)-7-methoxyquinazolin-4-ylamino)pyrrolidine-1,2-dicarboxylate
Database identifiers
- PubChem CID
- 136337397
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 812
Related reactions
1 records
Compound notes
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