6-(tert-Butyl)-3,4-dihydroisoquinolin-1(2H)-one - CAS 1178884-68-8
Catalog: |
BB004024 |
Product Name: |
6-(tert-Butyl)-3,4-dihydroisoquinolin-1(2H)-one |
CAS: |
1178884-68-8 |
Synonyms: |
6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one; 6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one |
IUPAC Name: | 6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one |
Description: | 6-(tert-Butyl)-3,4-dihydroisoquinolin-1(2H)-one (CAS# 1178884-68-8 ) is a useful research chemical. |
Molecular Weight: | 203.28 |
Molecular Formula: | C13H17NO |
Canonical SMILES: | CC(C)(C)C1=CC2=C(C=C1)C(=O)NCC2 |
InChI: | InChI=1S/C13H17NO/c1-13(2,3)10-4-5-11-9(8-10)6-7-14-12(11)15/h4-5,8H,6-7H2,1-3H3,(H,14,15) |
InChI Key: | KVSRTYBIFKWHND-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.59880 |
Publication Number | Title | Priority Date |
US-10654828-B2 | Indole derivatives and uses thereof | 20170728 |
US-2019055219-A1 | Indole derivatives and uses thereof | 20170728 |
US-2018194762-A1 | PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE | 20170106 |
US-10399980-B2 | Purinones as ubiquitin-specific protease 1 inhibitors | 20151120 |
US-2017145012-A1 | Purinones as ubiquitin-specific protease 1 inhibitors | 20151120 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.131014166 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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