7-Methoxyisoquinolin-1(2H)-one - CAS 16027-16-0
Catalog: |
BB011617 |
Product Name: |
7-Methoxyisoquinolin-1(2H)-one |
CAS: |
16027-16-0 |
Synonyms: |
7-methoxy-2H-isoquinolin-1-one; 7-methoxy-2H-isoquinolin-1-one |
IUPAC Name: | 7-methoxy-2H-isoquinolin-1-one |
Description: | 7-Methoxyisoquinolin-1(2H)-one (CAS# 16027-16-0) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | COC1=CC2=C(C=C1)C=CNC2=O |
InChI: | InChI=1S/C10H9NO2/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-6H,1H3,(H,11,12) |
InChI Key: | UXAZFUABINHWGY-UHFFFAOYSA-N |
LogP: | 1.94900 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020123674-A1 | Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same | 20181212 |
TW-202035359-A | Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same | 20181212 |
EP-3893645-A1 | Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same | 20181212 |
KR-20210102942-A | Substituted arylmethylureas and heteroarylmethylureas, analogs thereof, and methods of use thereof | 20181212 |
AU-2014338070-A1 | Quinazolinone and isoquinolinone derivative | 20131023 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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