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148581-62-8 | 3H-Pyrazolo[4,3-c]quinolin-3-one, 8-butyl-2,5-dihydro-2-phenyl-
CAS No: 148581-62-8 Catalog No: AG001L0Y MDL No:
Product Description
Catalog Number:
AG001L0Y
Chemical Name:
3H-Pyrazolo[4,3-c]quinolin-3-one, 8-butyl-2,5-dihydro-2-phenyl-
CAS Number:
148581-62-8
Molecular Formula:
C20H19N3O
Molecular Weight:
317.3844
IUPAC Name:
8-butyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
InChI:
InChI=1S/C20H19N3O/c1-2-3-7-14-10-11-18-16(12-14)19-17(13-21-18)20(24)23(22-19)15-8-5-4-6-9-15/h4-6,8-13,22H,2-3,7H2,1H3
InChI Key:
BIRVWAVIDBJNOI-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)c1nn(c(=O)c1c[nH]2)c1ccccc1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.153g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.392g/mol
Monoisotopic Mass:
317.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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