Basic information
- Standard SMILES
Cn1c(=O)n(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)c(=O)c2cccc(F)c21- InChIKey
CONIUWCQFOCUQJ-UHFFFAOYSA-N- Molecular formula
- C21H21BClFN2O4
- Average molar mass
- 430.7 g/mol
- Monoisotopic mass
- 430.1266932
Names & identifiers
- Preferred name
- 3-(2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-8-fluoro-1-methylquinazoline-2,4(1H,3H)-dione
- IUPAC
- 3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-fluoro-1-methylquinazoline-2,4-dione
Names & synonyms
SCHEMBL16320328CONIUWCQFOCUQJ-UHFFFAOYSA-N3-(2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-8-fluoro-1-methylquinazoline-2,4(1H,3H)-dione
Database identifiers
- PubChem CID
- 123775155
Properties
Computed structural properties
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 707
Related reactions
2 records
Compound notes
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