4-Hydroxy-2-(4-isopropyl-2-thiazolyl)-7-methoxy-8-methylquinoline - CAS 923289-21-8

Name: 4-Hydroxy-2-(4-isopropyl-2-thiazolyl)-7-methoxy-8-methylquinoline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040490
Product Name:	4-Hydroxy-2-(4-isopropyl-2-thiazolyl)-7-methoxy-8-methylquinoline
CAS:	923289-21-8
Synonyms:	7-methoxy-8-methyl-2-(4-propan-2-yl-2-thiazolyl)-1H-quinolin-4-one; 7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one

Technical Data

IUPAC Name:	7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
Description:	4-Hydroxy-2-(4-isopropyl-2-thiazolyl)-7-methoxy-8-methylquinoline (CAS# 923289-21-8) is a useful research chemical compound.
Molecular Weight:	314.40
Molecular Formula:	C17H18N2O2S
Canonical SMILES:	CC1=C(C=CC2=C1NC(=CC2=O)C3=NC(=CS3)C(C)C)OC
InChI:	InChI=1S/C17H18N2O2S/c1-9(2)13-8-22-17(19-13)12-7-14(20)11-5-6-15(21-4)10(3)16(11)18-12/h5-9H,1-4H3,(H,18,20)
InChI Key:	LPPRPUJPNUYIKH-UHFFFAOYSA-N
Boiling Point:	518 °C at 760 mmHg
Density:	1.24 g/cm³
LogP:	4.50430

Publication Number	Title	Priority Date
WO-2018028634-A1	Salts as hcv inhibitors	20160811
WO-2017064680-A1	An improved process for the preparation of simeprevir sodium and intermediate thereof	20151016
WO-2016127859-A1	Compounds as hepatitis c inhibitors and uses thereof in medicine	20150213
WO-2016044243-A1	Pyrimidine nucleoside phosphoramidate	20140916
CZ-2013777-A3	Novel process for preparing intermediates of simeprevir synthesis	20131007

Complexity:	466
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	314.10889899
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	314.10889899
Rotatable Bond Count:	3
Topological Polar Surface Area:	79.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8