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76164-84-6 | Pyrimido[4,5-b]quinolin-4(1H)-one, 6,7,8,9-tetrahydro-
CAS No: 76164-84-6 Catalog No: AG008OG0 MDL No:
Product Description
Catalog Number:
AG008OG0
Chemical Name:
Pyrimido[4,5-b]quinolin-4(1H)-one, 6,7,8,9-tetrahydro-
CAS Number:
76164-84-6
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one
InChI:
InChI=1S/C11H11N3O/c15-11-8-5-7-3-1-2-4-9(7)14-10(8)12-6-13-11/h5-6H,1-4H2,(H,12,13,14,15)
InChI Key:
LEBZUQSVOYSGAR-UHFFFAOYSA-N
SMILES:
O=c1nc[nH]c2c1cc1CCCCc1n2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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