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STOCK3S-85636,ZINC00521669, N,2-dimethyl-N-[(7-methyl-2-oxo-1H-quinoli

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摘 要:STOCK3S-85636,ZINC00521669, N,2-dimethyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide,Canonical SMILES: CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C)C(=O)C3=CC=CC=C3C,InChI: InChI=1/C20H20N2O2/c1-13-8-9-15-11-16(19(23)21-18(15)10-13)12-22(3)20,(24)17-7-5-
[Synonyms]
STOCK3S-85636
ZINC00521669

[Structure]
STOCK3S-85636,ZINC00521669, N,2-dimethyl-N-[(7-methyl-2-oxo-1H-quinoli

[ Properties Computed from Structure]
Molecular Weight320.385 [g/mol]
Molecular FormulaC20H20N2O2
XLogP3.3
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count3
Tautomer Count2
Exact Mass320.152478
MonoIsotopic Mass320.152478
Topological Polar Surface Area49.4
Heavy Atom Count24
Formal Charge0
Complexity528
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,2-dimethyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
Canonical SMILES: CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C)C(=O)C3=CC=CC=C3C
InChI: InChI=1/C20H20N2O2/c1-13-8-9-15-11-16(19(23)21-18(15)10-13)12-22(3)20
(24)17-7-5-4-6-14(17)2/h4-11H,12H2,1-3H3,(H,21,23)/f/h21H

 
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