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Home Other Building Blocks 1-(6-CHLORO-2-HYDROXY-4-PHENYL-QUINOLIN-3-YL)-ETHANONE

1-(6-CHLORO-2-HYDROXY-4-PHENYL-QUINOLIN-3-YL)-ETHANONE

CAS No.:
58375-08-9
Catalog Number:
AG00EEZJ
Molecular Formula:
C17H12ClNO2
Molecular Weight:
297.7357
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Product Description
Catalog Number:
AG00EEZJ
Chemical Name:
1-(6-CHLORO-2-HYDROXY-4-PHENYL-QUINOLIN-3-YL)-ETHANONE
CAS Number:
58375-08-9
Molecular Formula:
C17H12ClNO2
Molecular Weight:
297.7357
MDL Number:
MFCD00116018
IUPAC Name:
3-acetyl-6-chloro-4-phenyl-1H-quinolin-2-one
InChI:
InChI=1S/C17H12ClNO2/c1-10(20)15-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-17(15)21/h2-9H,1H3,(H,19,21)
InChI Key:
AJBGMDVXSIBMLC-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)C(=O)C
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.056g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
297.738g/mol
Monoisotopic Mass:
297.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
1-{6-Chloro-2-[(2-chloro-8-methyl-3-quinol-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone. Acta crystallographica. Section E, Structure reports online 20100801
1-{6-Chloro-2-[(2-chloro-3-quinol-yl)meth-oxy]-4-phenyl-3-quinol-yl}ethan-1-one. Acta crystallographica. Section E, Structure reports online 20100701
1-{6-Chloro-2-[(2-chloro-6-methyl-quinolin-3-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone. Acta crystallographica. Section E, Structure reports online 20100701
3-Acetyl-6-chloro-4-phenyl-quinolin-2(1H)-one. Acta crystallographica. Section E, Structure reports online 20100101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties