Basic information
- Standard SMILES
COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CCC[C@H]1C(=O)N(C)C.Cl- InChIKey
KBDKKUIXYYPLGN-BOXHHOBZSA-N- Molecular formula
- C25H30Cl2FN5O3
- Average molar mass
- 538.4 g/mol
- Monoisotopic mass
- 537.1709734
Names & identifiers
- Preferred name
- (S)-4-(4-chloro-2-fluoroanilino)-7-(3-(2-(N,N-dimethylcarbamoyl)pyrrolidin-1-yl)propoxy)-6-methoxyquinazoline hydrochloride
- IUPAC
- (2S)-1-[3-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
Names & synonyms
SCHEMBL1888671KBDKKUIXYYPLGN-BOXHHOBZSA-N(S)-4-(4-chloro-2-fluoroanilino)-7-(3-(2-(N,N-dimethylcarbamoyl)pyrrolidin-1-yl)propoxy)-6-methoxyquinazoline hydrochloride(S)4(4-chloro2-fluoroanilino)-7(3-(2-(N,N-dimethylcarbamoyl)pyrrolidin-1-yl)propoxy)-6-methoxyquinazoline hydrochloride
Database identifiers
- PubChem CID
- 67201272
Properties
Computed structural properties
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 691
Related reactions
4 records
Compound notes
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