5-Acetyl-8-(benzyloxy)quinolin-2(1H)-one - CAS 93609-84-8
Catalog: |
BB040986 |
Product Name: |
5-Acetyl-8-(benzyloxy)quinolin-2(1H)-one |
CAS: |
93609-84-8 |
Synonyms: |
5-acetyl-8-phenylmethoxy-1H-quinolin-2-one; 5-acetyl-8-phenylmethoxy-1H-quinolin-2-one |
IUPAC Name: | 5-acetyl-8-phenylmethoxy-1H-quinolin-2-one |
Description: | Used in the preparation of phenylethanolamine derivatives as β2 adrenoreceptor agonists. |
Molecular Weight: | 293.32 |
Molecular Formula: | C18H15NO3 |
Canonical SMILES: | CC(=O)C1=C2C=CC(=O)NC2=C(C=C1)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C18H15NO3/c1-12(20)14-7-9-16(18-15(14)8-10-17(21)19-18)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21) |
InChI Key: | MVYPGJMOODJFAZ-UHFFFAOYSA-N |
Boiling Point: | 569.179 °C at 760 mmHg |
Density: | 1.231 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 3.72200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020244452-A1 | HETEROCYCLIC DERIVATIVE HAVING β2 RECEPTOR AGITATION AND M RECEPTOR ANTAGONISTIC ACTIVITY AND MEDICAL USE THEREOF | 20190606 |
AU-2017376363-A1 | Class of bifunctional compounds with quaternary ammonium salt structure | 20161214 |
AU-2017376363-B2 | Class of bifunctional compounds with quaternary ammonium salt structure | 20161214 |
CA-3047023-A1 | Class of bifunctional compounds with quaternary ammonium salt structure | 20161214 |
CN-110087729-A | One kind has the dual-function compound of quaternary ammonium salt structure | 20161214 |
Complexity: | 453 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.10519334 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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