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302921-88-6 | 1H-Pyrazolo[3,4-b]quinolin-6-amine, N,N-diethyl-1-methyl-3-phenyl-
CAS No: 302921-88-6 Catalog No: AG002ZJ5 MDL No:
Product Description
Catalog Number:
AG002ZJ5
Chemical Name:
1H-Pyrazolo[3,4-b]quinolin-6-amine, N,N-diethyl-1-methyl-3-phenyl-
CAS Number:
302921-88-6
Molecular Formula:
C21H22N4
Molecular Weight:
330.4262
IUPAC Name:
N,N-diethyl-1-methyl-3-phenylpyrazolo[3,4-b]quinolin-6-amine
InChI:
InChI=1S/C21H22N4/c1-4-25(5-2)17-11-12-19-16(13-17)14-18-20(15-9-7-6-8-10-15)23-24(3)21(18)22-19/h6-14H,4-5H2,1-3H3
InChI Key:
JDGWEIAQDLWHHW-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)cc1c(n2)n(nc1c1ccccc1)C)CC
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.184g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.435g/mol
Monoisotopic Mass:
330.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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