4-Hydroxy-7-methoxy-2-phenylquinoline - CAS 20430-72-2

Catalog:	BB015917
Product Name:	4-Hydroxy-7-methoxy-2-phenylquinoline
CAS:	20430-72-2
Synonyms:	7-methoxy-2-phenyl-1H-quinolin-4-one

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Computed Properties

IUPAC Name:	7-methoxy-2-phenyl-1H-quinolin-4-one
Description:	4-Hydroxy-7-methoxy-2-phenylquinoline (CAS# 20430-72-2) is a useful research chemical.
Molecular Weight:	251.28
Molecular Formula:	C16H13NO2
Canonical SMILES:	COC1=CC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3
InChI:	InChI=1S/C16H13NO2/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChI Key:	JZVUAOCDNFNSGQ-UHFFFAOYSA-N
Boiling Point:	430.7 °C at 760 mmHg
Purity:	95 %
Density:	1.206 g/cm³
LogP:	3.61600

Publication Number	Title	Priority Date
WO-2016044243-A1	Pyrimidine nucleoside phosphoramidate	20140916
WO-2014169278-A1	Highly active nucleoside derivative for the treatment of hcv	20130412
EP-2970195-B1	Processes for producing sovaprevir	20130314
US-2014275480-A1	Novel processes for producing sovaprevir	20130314
US-2015322109-A1	Novel process for producing sovaprevir	20130314

PMID	Publication Date	Title	Journal
17107807	20070115	Synthesis of novel potent hepatitis C virus NS3 protease inhibitors: discovery of 4-hydroxy-cyclopent-2-ene-1,2-dicarboxylic acid as a N-acyl-L-hydroxyproline bioisostere	Bioorganic & medicinal chemistry
15588093	20041216	A systematic approach to the optimization of substrate-based inhibitors of the hepatitis C virus NS3 protease: discovery of potent and specific tripeptide inhibitors	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	371
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.094628657
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	251.094628657
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2