6-bromo-8-fluoro-1,2-dihydroquinazolin-2-one - CAS 1036756-15-6
Catalog: |
BB001194 |
Product Name: |
6-bromo-8-fluoro-1,2-dihydroquinazolin-2-one |
CAS: |
1036756-15-6 |
Synonyms: |
6-bromo-8-fluoro-1H-quinazolin-2-one; 6-bromo-8-fluoro-1H-quinazolin-2-one |
IUPAC Name: | 6-bromo-8-fluoro-1H-quinazolin-2-one |
Description: | 6-bromo-8-fluoro-1,2-dihydroquinazolin-2-one (CAS# 1036756-15-6 ) is a useful research chemical. |
Molecular Weight: | 243.035 |
Molecular Formula: | C8H4BrFN2O |
Canonical SMILES: | C1=C(C=C2C=NC(=O)NC2=C1F)Br |
InChI: | InChI=1S/C8H4BrFN2O/c9-5-1-4-3-11-8(13)12-7(4)6(10)2-5/h1-3H,(H,11,12,13) |
InChI Key: | OTRNZYHGHUEGKS-UHFFFAOYSA-N |
LogP: | 2.23700 |
Publication Number | Title | Priority Date |
WO-2020232401-A1 | Combination therapies with ire1 small molecule inhibitors | 20190515 |
WO-2020232403-A1 | Treatment of fibrosis with ire1 small molecule inhibitors | 20190515 |
CA-3082363-A1 | Ire1 small molecule inhibitors | 20171110 |
US-2019169160-A1 | Ire1 small molecule inhibitors | 20171110 |
WO-2019094641-A1 | Ire1 small molecule inhibitors | 20171110 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.9491 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.9491 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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