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Home Aminos Methanone, (4-aminophenyl)(3,4-dihydro-1(2H)-quinolinyl)-

Methanone, (4-aminophenyl)(3,4-dihydro-1(2H)-quinolinyl)-

CAS No.:
137975-18-9
Catalog Number:
AG0017S1
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
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Product Description
Catalog Number:
AG0017S1
Chemical Name:
Methanone, (4-aminophenyl)(3,4-dihydro-1(2H)-quinolinyl)-
CAS Number:
137975-18-9
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
IUPAC Name:
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
InChI:
InChI=1S/C16H16N2O/c17-14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11,17H2
InChI Key:
KZYCNMIZJOEZLC-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C(=O)N1CCCc2c1cccc2
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties