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824968-79-8 | 1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(2-quinoxalinyl)-
CAS No: 824968-79-8 Catalog No: AG004URD MDL No:
Product Description
Catalog Number:
AG004URD
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(2-quinoxalinyl)-
CAS Number:
824968-79-8
Molecular Formula:
C19H13N5
Molecular Weight:
311.3400
IUPAC Name:
3-methyl-5-quinoxalin-2-yl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C19H13N5/c1-11-17-19(24-23-11)13-7-3-2-6-12(13)18(22-17)16-10-20-14-8-4-5-9-15(14)21-16/h2-10H,1H3,(H,23,24)
InChI Key:
JMSNCQKUGQIRJF-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c2c1nc(c1cnc3c(n1)cccc3)c1c2cccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.348g/mol
Monoisotopic Mass:
311.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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