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Home > Quinoline > 914490-11-2
914490-11-2 | 3-Quinolinecarbonitrile, 1,4-dihydro-6-Methoxy-4-oxo-7-(phenylMethoxy)-
CAS No: 914490-11-2 Catalog No: AG00GTZN MDL No:
Product Description
Catalog Number:
AG00GTZN
Chemical Name:
3-Quinolinecarbonitrile, 1,4-dihydro-6-Methoxy-4-oxo-7-(phenylMethoxy)-
CAS Number:
914490-11-2
Molecular Formula:
C18H14N2O3
Molecular Weight:
306.3154
IUPAC Name:
6-methoxy-4-oxo-7-phenylmethoxy-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C18H14N2O3/c1-22-16-7-14-15(20-10-13(9-19)18(14)21)8-17(16)23-11-12-5-3-2-4-6-12/h2-8,10H,11H2,1H3,(H,20,21)
InChI Key:
WRAPTBOWJHVKIF-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OCc1ccccc1)[nH]cc(c2=O)C#N
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.321g/mol
Monoisotopic Mass:
306.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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