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100743-02-0 | 1H-Pyrazolo[3,4-b]quinoline, 4-(4-methoxyphenoxy)-3-methyl-
CAS No: 100743-02-0 Catalog No: AG0002QX MDL No:
Product Description
Catalog Number:
AG0002QX
Chemical Name:
1H-Pyrazolo[3,4-b]quinoline, 4-(4-methoxyphenoxy)-3-methyl-
CAS Number:
100743-02-0
Molecular Formula:
C18H15N3O2
Molecular Weight:
305.3306
IUPAC Name:
4-(4-methoxyphenoxy)-3-methyl-2H-pyrazolo[3,4-b]quinoline
InChI:
InChI=1S/C18H15N3O2/c1-11-16-17(23-13-9-7-12(22-2)8-10-13)14-5-3-4-6-15(14)19-18(16)21-20-11/h3-10H,1-2H3,(H,19,20,21)
InChI Key:
XIAIGUTXAIETOO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1c2ccccc2nc2c1c(C)n[nH]2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.337g/mol
Monoisotopic Mass:
305.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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