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833488-15-6 | 8-Quinolinol, 5-[2-amino-6-(4-methylphenyl)-4-pyrimidinyl]-
CAS No: 833488-15-6 Catalog No: AG004W5U MDL No:
Product Description
Catalog Number:
AG004W5U
Chemical Name:
8-Quinolinol, 5-[2-amino-6-(4-methylphenyl)-4-pyrimidinyl]-
CAS Number:
833488-15-6
Molecular Formula:
C20H16N4O
Molecular Weight:
328.3672
IUPAC Name:
5-[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]quinolin-8-ol
InChI:
InChI=1S/C20H16N4O/c1-12-4-6-13(7-5-12)16-11-17(24-20(21)23-16)14-8-9-18(25)19-15(14)3-2-10-22-19/h2-11,25H,1H3,(H2,21,23,24)
InChI Key:
QVWPBHMVLUSIOY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc(N)nc(c1)c1ccc(c2c1cccn2)O
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.375g/mol
Monoisotopic Mass:
328.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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