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Home > Quinoline > 645417-79-4
645417-79-4 | 1H-Pyrazolo[4,3-c]isoquinoline, 5-(2-ethoxyphenyl)-3-methyl-
CAS No: 645417-79-4 Catalog No: AG00H5TF MDL No:
Product Description
Catalog Number:
AG00H5TF
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 5-(2-ethoxyphenyl)-3-methyl-
CAS Number:
645417-79-4
Molecular Formula:
C19H17N3O
Molecular Weight:
303.3578
IUPAC Name:
5-(2-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C19H17N3O/c1-3-23-16-11-7-6-10-15(16)18-13-8-4-5-9-14(13)19-17(20-18)12(2)21-22-19/h4-11H,3H2,1-2H3,(H,21,22)
InChI Key:
WDHSJOXJZXFQCP-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1c1nc2c(C)n[nH]c2c2c1cccc2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.365g/mol
Monoisotopic Mass:
303.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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