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848133-76-6 | N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl);acetamide
CAS No: 848133-76-6 Catalog No: AG004NF8 MDL No:MFCD09263704
Product Description
Catalog Number:
AG004NF8
Chemical Name:
N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl);acetamide
CAS Number:
848133-76-6
Molecular Formula:
C14H12ClN3O2
Molecular Weight:
289.7170
MDL Number:
MFCD09263704
IUPAC Name:
N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide
InChI:
InChI=1S/C14H12ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7H,3H2,1-2H3,(H,18,19)
InChI Key:
XDXGFTCQRAQEEG-UHFFFAOYSA-N
SMILES:
CCOc1cc2ncc(c(c2cc1NC(=O)C)Cl)C#N
EC Number:
619-565-5
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.719g/mol
Monoisotopic Mass:
289.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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