5,7-Difluoroquinazolin-4(3H)-one - CAS 379228-58-7
Catalog: |
BB023469 |
Product Name: |
5,7-Difluoroquinazolin-4(3H)-one |
CAS: |
379228-58-7 |
Synonyms: |
5,7-difluoro-3H-quinazolin-4-one; 5,7-difluoro-3H-quinazolin-4-one |
IUPAC Name: | 5,7-difluoro-3H-quinazolin-4-one |
Description: | 5,7-Difluoro-4(3H)-quinazolinone was used in process development and scale-up of efficient route for manuf. of SRC kinase inhibitor AZD0530. |
Molecular Weight: | 182.13 |
Molecular Formula: | C8H4F2N2O |
Canonical SMILES: | C1=C(C=C2C(=C1F)C(=O)NC=N2)F |
InChI: | InChI=1S/C8H4F2N2O/c9-4-1-5(10)7-6(2-4)11-3-12-8(7)13/h1-3H,(H,11,12,13) |
InChI Key: | DIQRRDUOMDYXDK-UHFFFAOYSA-N |
Boiling Point: | 297.336 °C at 760 mmHg |
Density: | 1.55 g/cm3 |
MDL: | MFCD11100783 |
LogP: | 1.20130 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019143678-A1 | Dna-pk inhibitors | 20180117 |
AU-2019209293-A1 | DNA-PK inhibitors | 20180117 |
CN-111757876-A | DNA-PK inhibitors | 20180117 |
EP-3740480-A1 | Dna-pk inhibitors | 20180117 |
IL-276080-D0 | DNA-pk suppressant compounds, preparations containing otp and their uses | 20180117 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.02916908 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.02916908 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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