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130735-66-9

130735-66-9 | 4H-1-Benzopyran-4-one, 7-methoxy-2-(4-morpholinyl)-

CAS No: 130735-66-9 Catalog No: AG000UW1 MDL No:

Product Description

Catalog Number:
AG000UW1
Chemical Name:
4H-1-Benzopyran-4-one, 7-methoxy-2-(4-morpholinyl)-
CAS Number:
130735-66-9
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
IUPAC Name:
7-methoxy-2-morpholin-4-ylchromen-4-one
InChI:
InChI=1S/C14H15NO4/c1-17-10-2-3-11-12(16)9-14(19-13(11)8-10)15-4-6-18-7-5-15/h2-3,8-9H,4-7H2,1H3
InChI Key:
TVHCBKPEOVWUEQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(cc2=O)N1CCOCC1

Properties

Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Selective benzopyranone and pyrimido[2,1-a]isoquinolin-4-one inhibitors of DNA-dependent protein kinase: synthesis, structure-activity studies, and radiosensitization of a human tumor cell line in vitro. Journal of medicinal chemistry 20050127

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