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439095-16-6 | 3,7,7-trimethyl-4-phenyl-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS No: 439095-16-6 Catalog No: AG00ITOL MDL No:MFCD03448178
Product Description
Catalog Number:
AG00ITOL
Chemical Name:
3,7,7-trimethyl-4-phenyl-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS Number:
439095-16-6
Molecular Formula:
C19H21N3O
Molecular Weight:
307.3895
MDL Number:
MFCD03448178
IUPAC Name:
3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
InChI:
InChI=1S/C19H21N3O/c1-11-15-16(12-7-5-4-6-8-12)17-13(20-18(15)22-21-11)9-19(2,3)10-14(17)23/h4-8,16H,9-10H2,1-3H3,(H2,20,21,22)
InChI Key:
FFFWFAUFYUNHEL-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2=C1C(c1ccccc1)c1c(N2)[nH]nc1C
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.397g/mol
Monoisotopic Mass:
307.168g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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