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865658-71-5 | 3,7,7-trimethyl-4-(pyridin-4-yl)-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS No: 865658-71-5 Catalog No: AG00IOVZ MDL No:MFCD03787094
Product Description
Catalog Number:
AG00IOVZ
Chemical Name:
3,7,7-trimethyl-4-(pyridin-4-yl)-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS Number:
865658-71-5
Molecular Formula:
C18H20N4O
Molecular Weight:
308.3776
MDL Number:
MFCD03787094
IUPAC Name:
3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
InChI:
InChI=1S/C18H20N4O/c1-10-14-15(11-4-6-19-7-5-11)16-12(20-17(14)22-21-10)8-18(2,3)9-13(16)23/h4-7,15H,8-9H2,1-3H3,(H2,20,21,22)
InChI Key:
PTZKYSSXHZXQEM-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2=C1C(c1ccncc1)c1c(N2)n[nH]c1C
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.164g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.385g/mol
Monoisotopic Mass:
308.164g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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