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NSC88271,10147-06-5, 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamid

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摘 要:NSC88271,10147-06-5, 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamide,Canonical SMILES: CN1CCC(C2=CC=CC=C21)CC(=O)N,InChI: InChI=1/C12H16N2O/c1-14-7-6-9(8-12(13)15)10-4-2-3-5-11(10)14/h2-5,9H,,6-8H2,1H3,(H2,13,15)/f/h13H2,Molecular Weight204.26824
[Synonyms]
NSC88271
10147-06-5

[Structure]
NSC88271,10147-06-5, 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamid

[ Properties Computed from Structure]
Molecular Weight204.26824 [g/mol]
Molecular FormulaC12H16N2O
XLogP1.1
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count2
Tautomer Count2
Exact Mass204.126263
MonoIsotopic Mass204.126263
Topological Polar Surface Area46.3
Heavy Atom Count15
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
Canonical SMILES: CN1CCC(C2=CC=CC=C21)CC(=O)N
InChI: InChI=1/C12H16N2O/c1-14-7-6-9(8-12(13)15)10-4-2-3-5-11(10)14/h2-5,9H,
6-8H2,1H3,(H2,13,15)/f/h13H2

 
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