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Oprea1_302616,STOCK2S-87911,ZINC00522763, 3-(4-methylpiperidin-1-yl)-4

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摘 要:Oprea1_302616,STOCK2S-87911,ZINC00522763, 3-(4-methylpiperidin-1-yl)-4-phenyl-1H-quinolin-2-one,Canonical SMILES: CC1CCN(CC1)C2=C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4,InChI: InChI=1/C21H22N2O/c1-15-11-13-23(14-12-15)20-19(16-7-3-2-4-8-16)17-9-5-,6-10-18(17)2
[Synonyms]
Oprea1_302616
STOCK2S-87911
ZINC00522763

[Structure]
Oprea1_302616,STOCK2S-87911,ZINC00522763, 3-(4-methylpiperidin-1-yl)-4

[ Properties Computed from Structure]
Molecular Weight318.41218 [g/mol]
Molecular FormulaC21H22N2O
XLogP5
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count2
Tautomer Count2
Exact Mass318.173213
MonoIsotopic Mass318.173213
Topological Polar Surface Area32.3
Heavy Atom Count24
Formal Charge0
Complexity498
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: 3-(4-methylpiperidin-1-yl)-4-phenyl-1H-quinolin-2-one
Canonical SMILES: CC1CCN(CC1)C2=C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4
InChI: InChI=1/C21H22N2O/c1-15-11-13-23(14-12-15)20-19(16-7-3-2-4-8-16)17-9-5-
6-10-18(17)22-21(20)24/h2-10,15H,11-14H2,1H3,(H,22,24)/f/h22H

 
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