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109740-11-6 | 4H-Pyrazolo[3,4-c]quinolin-4-one, 2,5-dihydro-1-methyl-2-phenyl-
CAS No: 109740-11-6 Catalog No: AG00796R MDL No:
Product Description
Catalog Number:
AG00796R
Chemical Name:
4H-Pyrazolo[3,4-c]quinolin-4-one, 2,5-dihydro-1-methyl-2-phenyl-
CAS Number:
109740-11-6
Molecular Formula:
C17H13N3O
Molecular Weight:
275.3046
IUPAC Name:
1-methyl-2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one
InChI:
InChI=1S/C17H13N3O/c1-11-15-13-9-5-6-10-14(13)18-17(21)16(15)19-20(11)12-7-3-2-4-8-12/h2-10H,1H3,(H,18,21)
InChI Key:
XVEFSRLPXBHDDO-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2c2c1nn(c2C)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.311g/mol
Monoisotopic Mass:
275.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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