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105688-15-1 | Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 7-(acetyloxy)-10-methyl-
CAS No: 105688-15-1 Catalog No: AG00845P MDL No:
Product Description
Catalog Number:
AG00845P
Chemical Name:
Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 7-(acetyloxy)-10-methyl-
CAS Number:
105688-15-1
Molecular Formula:
C14H11N3O4
Molecular Weight:
285.2548
IUPAC Name:
(10-methyl-2,4-dioxopyrimido[4,5-b]quinolin-7-yl) acetate
InChI:
InChI=1S/C14H11N3O4/c1-7(18)21-9-3-4-11-8(5-9)6-10-12(17(11)2)15-14(20)16-13(10)19/h3-6H,1-2H3,(H,16,19,20)
InChI Key:
YVNVJFRNMCJALA-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1)cc1c(n2C)nc(=O)[nH]c1=O
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.259g/mol
Monoisotopic Mass:
285.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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