1-(8-Isoquinolyl)ethanone - CAS 1053655-98-3
Catalog: |
BB001619 |
Product Name: |
1-(8-Isoquinolyl)ethanone |
CAS: |
1053655-98-3 |
Synonyms: |
1-(8-isoquinolinyl)ethanone; 1-isoquinolin-8-ylethanone |
IUPAC Name: | 1-isoquinolin-8-ylethanone |
Description: | 1-(8-Isoquinolyl)ethanone (CAS# 1053655-98-3) is used in preparation of Benzoxazolinone compounds with selective activity in voltage-gated Sodium channels. |
Molecular Weight: | 171.20 |
Molecular Formula: | C11H9NO |
Canonical SMILES: | CC(=O)C1=CC=CC2=C1C=NC=C2 |
InChI: | InChI=1S/C11H9NO/c1-8(13)10-4-2-3-9-5-6-12-7-11(9)10/h2-7H,1H3 |
InChI Key: | FUYYTGDVYCCNEE-UHFFFAOYSA-N |
LogP: | 2.43740 |
Publication Number | Title | Priority Date |
EP-2770995-A1 | Benzoxazolinone compounds with selective activity in voltage-gated sodium channels | 20111028 |
EP-2770995-B1 | Benzoxazolinone compounds with selective activity in voltage-gated sodium channels | 20111028 |
US-2014303143-A1 | Benzoxazolinone compounds with selective activity in voltage-gated sodium channels | 20111028 |
US-9273040-B2 | Benzoxazolinone compounds with selective activity in voltage-gated sodium channels | 20111028 |
WO-2013063459-A1 | Benzoxazolinone compounds with selective activity in voltage-gated sodium channels | 20111028 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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