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113655-28-0 | 3H-Imidazo[4,5-f]quinoxaline-8-propanoic acid, 2-amino-3-methyl-, ethyl ester
CAS No: 113655-28-0 Catalog No: AG000988 MDL No:
Product Description
Catalog Number:
AG000988
Chemical Name:
3H-Imidazo[4,5-f]quinoxaline-8-propanoic acid, 2-amino-3-methyl-, ethyl ester
CAS Number:
113655-28-0
Molecular Formula:
C15H17N5O2
Molecular Weight:
299.3278
IUPAC Name:
ethyl 3-(2-amino-3-methylimidazo[4,5-h]quinoxalin-8-yl)propanoate
InChI:
InChI=1S/C15H17N5O2/c1-3-22-12(21)7-4-9-8-17-10-5-6-11-14(13(10)18-9)19-15(16)20(11)2/h5-6,8H,3-4,7H2,1-2H3,(H2,16,19)
InChI Key:
GSQRZSJRVLYQAG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1cnc2c(n1)c1nc(n(c1cc2)C)N
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.334g/mol
Monoisotopic Mass:
299.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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