Home Aminos [(2-Oxo-1,2-dihydroquinolin-4-yl)methyl](acetylamino)malonic acid diethyl ester

[(2-Oxo-1,2-dihydroquinolin-4-yl)methyl](acetylamino)malonic acid diethyl ester

CAS No.:
4900-38-3
Catalog Number:
AG00DBAT
Molecular Formula:
C19H22N2O6
Molecular Weight:
374.3878
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Product Description
Catalog Number:
AG00DBAT
Chemical Name:
[(2-Oxo-1,2-dihydroquinolin-4-yl)methyl](acetylamino)malonic acid diethyl ester
CAS Number:
4900-38-3
Molecular Formula:
C19H22N2O6
Molecular Weight:
374.3878
MDL Number:
MFCD17676416
IUPAC Name:
diethyl 2-acetamido-2-[(2-oxo-1H-quinolin-4-yl)methyl]propanedioate
InChI:
InChI=1S/C19H22N2O6/c1-4-26-17(24)19(21-12(3)22,18(25)27-5-2)11-13-10-16(23)20-15-9-7-6-8-14(13)15/h6-10H,4-5,11H2,1-3H3,(H,20,23)(H,21,22)
InChI Key:
ALGGJCHJAMWLFH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(Cc1cc(=O)[nH]c2c1cccc2)NC(=O)C
Properties
Complexity:
624  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.148g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
374.393g/mol
Monoisotopic Mass:
374.148g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties