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N-[(3-methoxyphenyl)methylideneamino]-3-methylquinoxalin-2-amine,Cano

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摘 要: N-[(3-methoxyphenyl)methylideneamino]-3-methylquinoxalin-2-amine,Canonical SMILES: CC1=NC2=CC=CC=C2N=C1NN=CC3=CC(=CC=C3)OC,InChI: InChI=1/C17H16N4O/c1-12-17(20-16-9-4-3-8-15(16)19-12)21-18-11-13-6-5-7-,14(10-13)22-2/h3-11H,1-2H3,(H,20,21)/f/h21H,Mol
[Synonyms]

[Structure]
 N-[(3-methoxyphenyl)methylideneamino]-3-methylquinoxalin-2-amine,Cano

[ Properties Computed from Structure]
Molecular Weight292.33514 [g/mol]
Molecular FormulaC17H16N4O
XLogP4.7
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count4
Tautomer Count4
Exact Mass292.132411
MonoIsotopic Mass292.132411
Topological Polar Surface Area59.4
Heavy Atom Count22
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[(3-methoxyphenyl)methylideneamino]-3-methylquinoxalin-2-amine
Canonical SMILES: CC1=NC2=CC=CC=C2N=C1NN=CC3=CC(=CC=C3)OC
InChI: InChI=1/C17H16N4O/c1-12-17(20-16-9-4-3-8-15(16)19-12)21-18-11-13-6-5-7-
14(10-13)22-2/h3-11H,1-2H3,(H,20,21)/f/h21H

 
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