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STOCK4S-78510,ZINC02428743, N-(1-butyl-8-methylpyrazolo[5,4-b]quinolin

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摘 要:STOCK4S-78510,ZINC02428743, N-(1-butyl-8-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methoxybenzamide,Canonical SMILES: CCCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C4=CC(=CC=C4)OC,InChI: InChI=1/C23H24N4O2/c1-4-5-12-27-22-19(14-16-9-6-8-15(2)20(16)24-22)21,(
[Synonyms]
STOCK4S-78510
ZINC02428743

[Structure]
STOCK4S-78510,ZINC02428743, N-(1-butyl-8-methylpyrazolo[5,4-b]quinolin

[ Properties Computed from Structure]
Molecular Weight388.46226 [g/mol]
Molecular FormulaC23H24N4O2
XLogP5.6
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count3
Exact Mass388.189926
MonoIsotopic Mass388.189926
Topological Polar Surface Area69
Heavy Atom Count29
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(1-butyl-8-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methoxybenzamide
Canonical SMILES: CCCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C4=CC(=CC=C4)OC
InChI: InChI=1/C23H24N4O2/c1-4-5-12-27-22-19(14-16-9-6-8-15(2)20(16)24-22)21
(26-27)25-23(28)17-10-7-11-18(13-17)29-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,
25,26,28)/f/h25H

 
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