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Oprea1_031354,Oprea1_751845,ZINC00917593,ASN 02254763, 3-amino-6-metho

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摘 要:Oprea1_031354,Oprea1_751845,ZINC00917593,ASN 02254763, 3-amino-6-methoxy-N-(4-methoxyphenyl)thieno[5,,4-b]quinoline-2-carboxamide,Canonical SMILES: COC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C4C=CC(=CC4=C3)OC)N,InChI: InChI=1/C20H17N3O3S/c1-25-13-5-3-12(4-6
[Synonyms]
Oprea1_031354
Oprea1_751845
ZINC00917593
ASN 02254763

[Structure]
Oprea1_031354,Oprea1_751845,ZINC00917593,ASN 02254763, 3-amino-6-metho

[ Properties Computed from Structure]
Molecular Weight379.43228 [g/mol]
Molecular FormulaC20H17N3O3S
XLogP3.3
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count4
Tautomer Count5
Exact Mass379.099062
MonoIsotopic Mass379.099062
Topological Polar Surface Area86.5
Heavy Atom Count27
Formal Charge0
Complexity529
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-amino-6-methoxy-N-(4-methoxyphenyl)thieno[5,
4-b]quinoline-2-carboxamide
Canonical SMILES: COC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C4C=CC(=CC4=C3)OC)N
InChI: InChI=1/C20H17N3O3S/c1-25-13-5-3-12(4-6-13)22-19(24)18-17(21)15-10-11-9-
14(26-2)7-8-16(11)23-20(15)27-18/h3-10H,21H2,1-2H3,(H,22,24)/f/h22H

 
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