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88067-66-7 | 4-Quinolinecarboxamide, 2-phenyl-N-2-pyrimidinyl-
CAS No: 88067-66-7 Catalog No: AG004I0E MDL No:
Product Description
Catalog Number:
AG004I0E
Chemical Name:
4-Quinolinecarboxamide, 2-phenyl-N-2-pyrimidinyl-
CAS Number:
88067-66-7
Molecular Formula:
C20H14N4O
Molecular Weight:
326.3514
IUPAC Name:
2-phenyl-N-pyrimidin-2-ylquinoline-4-carboxamide
InChI:
InChI=1S/C20H14N4O/c25-19(24-20-21-11-6-12-22-20)16-13-18(14-7-2-1-3-8-14)23-17-10-5-4-9-15(16)17/h1-13H,(H,21,22,24,25)
InChI Key:
HBHCTBUBQRUSKO-UHFFFAOYSA-N
SMILES:
O=C(c1cc(nc2c1cccc2)c1ccccc1)Nc1ncccn1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.117g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.359g/mol
Monoisotopic Mass:
326.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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