7-Hydroxy-1,2,3,4-tetrahydroisoquinolin-3-one - CAS 53389-81-4
Catalog: |
BB028188 |
Product Name: |
7-Hydroxy-1,2,3,4-tetrahydroisoquinolin-3-one |
CAS: |
53389-81-4 |
Synonyms: |
7-hydroxy-2,4-dihydro-1H-isoquinolin-3-one; 7-hydroxy-2,4-dihydro-1H-isoquinolin-3-one |
IUPAC Name: | 7-hydroxy-2,4-dihydro-1H-isoquinolin-3-one |
Description: | 1,4-Dihydro-7-hydroxy-3(2H)-isoquinolinone, can be involved in the photocyclization of N-(chloroactyl)benzylamines to isoquinoline derivatives. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | C1C2=C(CNC1=O)C=C(C=C2)O |
InChI: | InChI=1S/C9H9NO2/c11-8-2-1-6-4-9(12)10-5-7(6)3-8/h1-3,11H,4-5H2,(H,10,12) |
InChI Key: | VMFLZARQIWIXNH-UHFFFAOYSA-N |
LogP: | 0.84040 |
Publication Number | Title | Priority Date |
US-2021236663-A1 | Compounds and probes for imaging huntingtin protein | 20191218 |
WO-2021127265-A1 | Compounds and probes for imaging huntingtin protein | 20191218 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.06332853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Related Functional Groups
Quinoline/Isoquinoline
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