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Oprea1_017066,Oprea1_573797,ZINC00928261,ASN 04371057,4-(6,7-Dimethoxy

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摘 要:Oprea1_017066,Oprea1_573797,ZINC00928261,ASN 04371057,4-(6,7-Dimethoxy-3-methyl-quinolin-2-ylsulfanylmethyl)-1H-quinolin-2-one, 4-[(6,,7-dimethoxy-3-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one,Canonical SMILES: CC1=C(N=C2C=C(C(=CC2=C1)OC)OC
[Synonyms]
Oprea1_017066
Oprea1_573797
ZINC00928261
ASN 04371057
4-(6,7-Dimethoxy-3-methyl-quinolin-2-ylsulfanylmethyl)-1H-quinolin-2-one

[Structure]
Oprea1_017066,Oprea1_573797,ZINC00928261,ASN 04371057,4-(6,7-Dimethoxy

[ Properties Computed from Structure]
Molecular Weight392.4708 [g/mol]
Molecular FormulaC22H20N2O3S
XLogP3.3
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count2
Exact Mass392.119463
MonoIsotopic Mass392.119463
Topological Polar Surface Area60.5
Heavy Atom Count28
Formal Charge0
Complexity598
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: 4-[(6,
7-dimethoxy-3-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one
Canonical SMILES: CC1=C(N=C2C=C(C(=CC2=C1)OC)OC)SCC3=CC(=O)NC4=CC=CC=C43
InChI: InChI=1/C22H20N2O3S/c1-13-8-14-9-19(26-2)20(27-3)11-18(14)24-22(13)28-
12-15-10-21(25)23-17-7-5-4-6-16(15)17/h4-11H,12H2,1-3H3,(H,23,25)/f/h23H

 
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