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864224-17-9 | 5(6H)-Quinolinone, 7,8-dihydro-7,7-dimethyl-2-(3-pyridinylethynyl)-
CAS No: 864224-17-9 Catalog No: AG004R6C MDL No:
Product Description
Catalog Number:
AG004R6C
Chemical Name:
5(6H)-Quinolinone, 7,8-dihydro-7,7-dimethyl-2-(3-pyridinylethynyl)-
CAS Number:
864224-17-9
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
7,7-dimethyl-2-(2-pyridin-3-ylethynyl)-6,8-dihydroquinolin-5-one
InChI:
InChI=1S/C18H16N2O/c1-18(2)10-16-15(17(21)11-18)8-7-14(20-16)6-5-13-4-3-9-19-12-13/h3-4,7-9,12H,10-11H2,1-2H3
InChI Key:
PZYNNJCKOOYBPK-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Cc2c1ccc(n2)C#Cc1cccnc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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