7-(Benzyloxy)-4-chloroquinoline - CAS 178984-56-0

Name: 7-(Benzyloxy)-4-chloroquinoline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013524
Product Name:	7-(Benzyloxy)-4-chloroquinoline
CAS:	178984-56-0
Synonyms:	4-chloro-7-phenylmethoxyquinoline; 4-chloro-7-phenylmethoxyquinoline

Technical Data

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 °C 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