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Home > Quinoline > 645417-70-5
645417-70-5 | 1H-Pyrazolo[4,3-c]isoquinoline, 5-(2-methoxyphenyl)-3-methyl-
CAS No: 645417-70-5 Catalog No: AG00H60S MDL No:
Product Description
Catalog Number:
AG00H60S
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 5-(2-methoxyphenyl)-3-methyl-
CAS Number:
645417-70-5
Molecular Formula:
C18H15N3O
Molecular Weight:
289.3312
IUPAC Name:
5-(2-methoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C18H15N3O/c1-11-16-18(21-20-11)13-8-4-3-7-12(13)17(19-16)14-9-5-6-10-15(14)22-2/h3-10H,1-2H3,(H,20,21)
InChI Key:
DBYGUHCUSUKKOG-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1nc2c(C)n[nH]c2c2c1cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.338g/mol
Monoisotopic Mass:
289.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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