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69083-37-0 | Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 3-methyl-10-phenyl-
CAS No: 69083-37-0 Catalog No: AG006CXW MDL No:
Product Description
Catalog Number:
AG006CXW
Chemical Name:
Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 3-methyl-10-phenyl-
CAS Number:
69083-37-0
Molecular Formula:
C18H13N3O2
Molecular Weight:
303.3147
IUPAC Name:
3-methyl-10-phenylpyrimido[4,5-b]quinoline-2,4-dione
InChI:
InChI=1S/C18H13N3O2/c1-20-17(22)14-11-12-7-5-6-10-15(12)21(16(14)19-18(20)23)13-8-3-2-4-9-13/h2-11H,1H3
InChI Key:
MXTACMPGPLXHPG-UHFFFAOYSA-N
SMILES:
Cn1c(=O)nc2c(c1=O)cc1c(n2c2ccccc2)cccc1
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.101g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.321g/mol
Monoisotopic Mass:
303.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Antitumor studies -- part 2: structure-activity relationship study for flavin analogs including investigations on their in vitro antitumor assay and docking simulation into protein tyrosine kinase. | European journal of medicinal chemistry 20080701 |
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