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825616-23-7 | 8-Quinolinecarboxamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-
CAS No: 825616-23-7 Catalog No: AG004YOO MDL No:
Product Description
Catalog Number:
AG004YOO
Chemical Name:
8-Quinolinecarboxamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-
CAS Number:
825616-23-7
Molecular Formula:
C20H14N6O
Molecular Weight:
354.3648
IUPAC Name:
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide
InChI:
InChI=1S/C20H14N6O/c27-20(13-7-3-5-12-6-4-10-21-17(12)13)25-16-11-22-26-18(16)19-23-14-8-1-2-9-15(14)24-19/h1-11H,(H,22,26)(H,23,24)(H,25,27)
InChI Key:
SUOSSMXVAOPAQS-UHFFFAOYSA-N
SMILES:
O=C(c1cccc2c1nccc2)Nc1c[nH]nc1c1nc2c([nH]1)cccc2
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.123g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
354.373g/mol
Monoisotopic Mass:
354.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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