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370588-23-1 | 3,7,7-trimethyl-4-(4-methylphenyl)-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS No: 370588-23-1 Catalog No: AG00IY2T MDL No:MFCD03787088
Product Description
Catalog Number:
AG00IY2T
Chemical Name:
3,7,7-trimethyl-4-(4-methylphenyl)-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS Number:
370588-23-1
Molecular Formula:
C20H23N3O
Molecular Weight:
321.4161
MDL Number:
MFCD03787088
IUPAC Name:
3,7,7-trimethyl-4-(4-methylphenyl)-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
InChI:
InChI=1S/C20H23N3O/c1-11-5-7-13(8-6-11)17-16-12(2)22-23-19(16)21-14-9-20(3,4)10-15(24)18(14)17/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23)
InChI Key:
GQFUYSHWMLTFPZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1C2=C(Nc3c1c(C)[nH]n3)CC(CC2=O)(C)C
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.424g/mol
Monoisotopic Mass:
321.184g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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