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189765-09-1 | Pyrimido[4,5-b]quinolin-2(1H)-one
CAS No: 189765-09-1 Catalog No: AG002DY4 MDL No:
Product Description
Catalog Number:
AG002DY4
Chemical Name:
Pyrimido[4,5-b]quinolin-2(1H)-one
CAS Number:
189765-09-1
Molecular Formula:
C11H7N3O
Molecular Weight:
197.1928
IUPAC Name:
1H-pyrimido[4,5-b]quinolin-2-one
InChI:
InChI=1S/C11H7N3O/c15-11-12-6-8-5-7-3-1-2-4-9(7)13-10(8)14-11/h1-6H,(H,12,13,14,15)
InChI Key:
RSOUYDHGTVTMCN-UHFFFAOYSA-N
SMILES:
O=c1ncc2c([nH]1)nc1c(c2)cccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.197g/mol
Monoisotopic Mass:
197.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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