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133175-87-8 | 1H-Pyrazolo[3,4-b]quinoline, 3-methyl-1,4-diphenyl-
CAS No: 133175-87-8 Catalog No: AG0014DG MDL No:
Product Description
Catalog Number:
AG0014DG
Chemical Name:
1H-Pyrazolo[3,4-b]quinoline, 3-methyl-1,4-diphenyl-
CAS Number:
133175-87-8
Molecular Formula:
C23H17N3
Molecular Weight:
335.4012
IUPAC Name:
3-methyl-1,4-diphenylpyrazolo[3,4-b]quinoline
InChI:
InChI=1S/C23H17N3/c1-16-21-22(17-10-4-2-5-11-17)19-14-8-9-15-20(19)24-23(21)26(25-16)18-12-6-3-7-13-18/h2-15H,1H3
InChI Key:
FVXJGQSTWJLHGJ-UHFFFAOYSA-N
SMILES:
Cc1nn(c2c1c(c1ccccc1)c1ccccc1n2)c1ccccc1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.41g/mol
Monoisotopic Mass:
335.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| 3-Methyl-1,4-diphenyl-1H-pyrazolo-[3,4-b]quinoline. | Acta crystallographica. Section E, Structure reports online 20101101 |
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