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80547-90-6 | Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 10-ethyl-8-hydroxy-
CAS No: 80547-90-6 Catalog No: AG0052GI MDL No:
Product Description
Catalog Number:
AG0052GI
Chemical Name:
Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 10-ethyl-8-hydroxy-
CAS Number:
80547-90-6
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
IUPAC Name:
10-ethyl-1H-pyrimido[4,5-b]quinoline-2,4,8-trione
InChI:
InChI=1S/C13H11N3O3/c1-2-16-10-6-8(17)4-3-7(10)5-9-11(16)14-13(19)15-12(9)18/h3-6H,2H2,1H3,(H2,14,15,18,19)
InChI Key:
MBTIRBVOZNMJGS-UHFFFAOYSA-N
SMILES:
CCn1c2cc(O)ccc2cc2c1nc(=O)[nH]c2=O
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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