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824968-77-6 | 1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(2-quinolinyl)-
CAS No: 824968-77-6 Catalog No: AG004ZFT MDL No:
Product Description
Catalog Number:
AG004ZFT
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(2-quinolinyl)-
CAS Number:
824968-77-6
Molecular Formula:
C20H14N4
Molecular Weight:
310.3520
IUPAC Name:
3-methyl-5-quinolin-2-yl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C20H14N4/c1-12-18-20(24-23-12)15-8-4-3-7-14(15)19(22-18)17-11-10-13-6-2-5-9-16(13)21-17/h2-11H,1H3,(H,23,24)
InChI Key:
ADKJLWJJAJCTDD-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c2c1nc(c1ccc3c(n1)cccc3)c1c2cccc1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.36g/mol
Monoisotopic Mass:
310.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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