Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1- InChIKey
QECSZMZGESRMFR-UHFFFAOYSA-N- Molecular formula
- C22H23ClFN5O3
- Average molar mass
- 459.9 g/mol
Names & identifiers
- Preferred name
- {2-[4-(3-Chloro-4-fluoro-phenylamino)-quinazolin-6-ylcarbamoyl]-ethyl}-carbamic acid t-butylester
- IUPAC
- tert-butyl N-[3-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamate
Names & synonyms
QECSZMZGESRMFR-UHFFFAOYSA-N{2-[4-(3-chloro-4-fluoro-phenylamino)-quinazolin-6-ylcarbamoyl]-ethyl}-carbamic acid t-butylester
Database identifiers
- PubChem CID
- 11698299
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 650
Related reactions
2 records
Compound notes
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