7-(Benzyloxy)-4-chloroquinoline - CAS 178984-56-0
Catalog: |
BB013524 |
Product Name: |
7-(Benzyloxy)-4-chloroquinoline |
CAS: |
178984-56-0 |
Synonyms: |
4-chloro-7-phenylmethoxyquinoline; 4-chloro-7-phenylmethoxyquinoline |
IUPAC Name: | 4-chloro-7-phenylmethoxyquinoline |
Description: | 7-(Benzyloxy)-4-chloroquinoline (CAS# 178984-56-0) is a useful research chemical for the preparation of piperidinylquinoline compounds that can act as Cyp8b1 inhibitors, a treatment for diabetes. |
Molecular Weight: | 269.73 |
Molecular Formula: | C16H12ClNO |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC3=NC=CC(=C3C=C2)Cl |
InChI: | InChI=1S/C16H12ClNO/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2 |
InChI Key: | TXHLONYFVBSHDY-UHFFFAOYSA-N |
Boiling Point: | 414.058 ℃ at 760 mmHg |
Density: | 1.264 g/cm3 |
MDL: | MFCD06659039 |
LogP: | 4.46720 |
Publication Number | Title | Priority Date |
WO-2021129621-A1 | Pyrazole compounds | 20191223 |
EP-3496715-A1 | Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease | 20160815 |
US-10414775-B2 | Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease | 20160815 |
US-2019218224-A1 | Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolc disease | 20160815 |
WO-2018034917-A1 | Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease | 20160815 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.0607417 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.0607417 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 22.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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Related Functional Groups
Quinoline/Isoquinoline
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