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206536-31-4

206536-31-4 | 4(1H)-Quinolinone, 3-(3-chlorophenyl)-5,7-dihydroxy-

CAS No: 206536-31-4 Catalog No: AG002IIO MDL No:

Product Description

Catalog Number:
AG002IIO
Chemical Name:
4(1H)-Quinolinone, 3-(3-chlorophenyl)-5,7-dihydroxy-
CAS Number:
206536-31-4
Molecular Formula:
C15H10ClNO3
Molecular Weight:
287.6978
IUPAC Name:
3-(3-chlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one
InChI:
InChI=1S/C15H10ClNO3/c16-9-3-1-2-8(4-9)11-7-17-12-5-10(18)6-13(19)14(12)15(11)20/h1-7,18-19H,(H,17,20)
InChI Key:
ZDTZOBIXVNHHCR-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1c[nH]c2c(c1=O)c(O)cc(c2)O

Properties

Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.035g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
287.699g/mol
Monoisotopic Mass:
287.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Literature

Title Journal
Use of a pharmacophore model for the design of EGFR tyrosine kinase inhibitors: isoflavones and 3-phenyl-4(1H)-quinolones. Journal of medicinal chemistry 19990325

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