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88996-80-9 | 2-Quinoxalinecarboxamide, N-[2-(1H-imidazol-4-yl)ethyl]-3-methyl-
CAS No: 88996-80-9 Catalog No: AG0088ZQ MDL No:
Product Description
Catalog Number:
AG0088ZQ
Chemical Name:
2-Quinoxalinecarboxamide, N-[2-(1H-imidazol-4-yl)ethyl]-3-methyl-
CAS Number:
88996-80-9
Molecular Formula:
C15H15N5O
Molecular Weight:
281.3125
IUPAC Name:
N-[2-(1H-imidazol-5-yl)ethyl]-3-methylquinoxaline-2-carboxamide
InChI:
InChI=1S/C15H15N5O/c1-10-14(20-13-5-3-2-4-12(13)19-10)15(21)17-7-6-11-8-16-9-18-11/h2-5,8-9H,6-7H2,1H3,(H,16,18)(H,17,21)
InChI Key:
YUKVZSBPYCBMGH-UHFFFAOYSA-N
SMILES:
O=C(c1nc2ccccc2nc1C)NCCc1c[nH]cn1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.128g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.319g/mol
Monoisotopic Mass:
281.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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