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Home > Quinoline > 645417-90-9
645417-90-9 | 1H-Pyrazolo[4,3-c]isoquinoline, 7,8-dimethoxy-3-methyl-5-(2-pyridinyl)-
CAS No: 645417-90-9 Catalog No: AG00H5TD MDL No:
Product Description
Catalog Number:
AG00H5TD
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 7,8-dimethoxy-3-methyl-5-(2-pyridinyl)-
CAS Number:
645417-90-9
Molecular Formula:
C18H16N4O2
Molecular Weight:
320.3452
IUPAC Name:
7,8-dimethoxy-3-methyl-5-pyridin-2-yl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C18H16N4O2/c1-10-16-18(22-21-10)12-9-15(24-3)14(23-2)8-11(12)17(20-16)13-6-4-5-7-19-13/h4-9H,1-3H3,(H,21,22)
InChI Key:
OXFROLTUDVQDRA-UHFFFAOYSA-N
SMILES:
COc1cc2c(nc3c(c2cc1OC)[nH]nc3C)c1ccccn1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.352g/mol
Monoisotopic Mass:
320.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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