2-amino-8-bromo-3,4-dihydroquinazolin-4-one - CAS 1258630-85-1
Catalog: |
BB006269 |
Product Name: |
2-amino-8-bromo-3,4-dihydroquinazolin-4-one |
CAS: |
1258630-85-1 |
Synonyms: |
2-amino-8-bromo-3H-quinazolin-4-one; 2-amino-8-bromo-3H-quinazolin-4-one |
IUPAC Name: | 2-amino-8-bromo-3H-quinazolin-4-one |
Description: | 2-amino-8-bromo-3,4-dihydroquinazolin-4-one (CAS# 1258630-85-1 ) is a useful research chemical. |
Molecular Weight: | 240.06 |
Molecular Formula: | C8H6BrN3O |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)N=C(NC2=O)N |
InChI: | InChI=1S/C8H6BrN3O/c9-5-3-1-2-4-6(5)11-8(10)12-7(4)13/h1-3H,(H3,10,11,12,13) |
InChI Key: | KBQNPSNPMMVEHM-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
LogP: | 1.61020 |
Publication Number | Title | Priority Date |
EP-3313828-A1 | Metallo-beta-lactamase inhibitors | 20150626 |
US-10227331-B2 | Metallo-β-lactamase inhibitors | 20150626 |
US-2018179190-A1 | Metallo-beta-lactamase inhibitors | 20150626 |
WO-2016206101-A1 | Metallo-beta-lactamase inhibitors | 20150626 |
WO-2016210234-A1 | Metallo-beta-lactamase inhibitors | 20150626 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.96942 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.96942 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Quinazolines
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