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Home > Quinoline > 648896-16-6
648896-16-6 | 2-Quinolinecarboxamide, 4,8-dihydroxy-N-(2-pyridinylmethyl)-
CAS No: 648896-16-6 Catalog No: AG006RXO MDL No:
Product Description
Catalog Number:
AG006RXO
Chemical Name:
2-Quinolinecarboxamide, 4,8-dihydroxy-N-(2-pyridinylmethyl)-
CAS Number:
648896-16-6
Molecular Formula:
C16H13N3O3
Molecular Weight:
295.2927
IUPAC Name:
8-hydroxy-4-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-2-carboxamide
InChI:
InChI=1S/C16H13N3O3/c20-13-6-3-5-11-14(21)8-12(19-15(11)13)16(22)18-9-10-4-1-2-7-17-10/h1-8,20H,9H2,(H,18,22)(H,19,21)
InChI Key:
JNFKPOATRPZGFK-UHFFFAOYSA-N
SMILES:
O=C(c1cc(O)c2c(n1)c(O)ccc2)NCc1ccccn1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.298g/mol
Monoisotopic Mass:
295.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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