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27132-53-2 | 10-Methylpyrimido[4,5-b]quinoline-2,4(3H,10H);-dione
CAS No: 27132-53-2 Catalog No: AG007LSC MDL No:MFCD02167665
Product Description
Catalog Number:
AG007LSC
Chemical Name:
10-Methylpyrimido[4,5-b]quinoline-2,4(3H,10H);-dione
CAS Number:
27132-53-2
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
MDL Number:
MFCD02167665
IUPAC Name:
10-methylpyrimido[4,5-b]quinoline-2,4-dione
InChI:
InChI=1S/C12H9N3O2/c1-15-9-5-3-2-4-7(9)6-8-10(15)13-12(17)14-11(8)16/h2-6H,1H3,(H,14,16,17)
InChI Key:
VPPVXLHZEZARQZ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c(n1)n(C)c1c(c2)cccc1
NSC Number:
106927
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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