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89242-44-4 | 3-Isoquinolinecarboxamide, N,N-diethyl-6,7-dimethoxy-1-phenyl-
CAS No: 89242-44-4 Catalog No: AG0042M3 MDL No:
Product Description
Catalog Number:
AG0042M3
Chemical Name:
3-Isoquinolinecarboxamide, N,N-diethyl-6,7-dimethoxy-1-phenyl-
CAS Number:
89242-44-4
Molecular Formula:
C22H24N2O3
Molecular Weight:
364.4376
IUPAC Name:
N,N-diethyl-6,7-dimethoxy-1-phenylisoquinoline-3-carboxamide
InChI:
InChI=1S/C22H24N2O3/c1-5-24(6-2)22(25)18-12-16-13-19(26-3)20(27-4)14-17(16)21(23-18)15-10-8-7-9-11-15/h7-14H,5-6H2,1-4H3
InChI Key:
MDTYGTRMNOXTQN-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cc2cc(OC)c(cc2c(n1)c1ccccc1)OC)CC
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.179g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.445g/mol
Monoisotopic Mass:
364.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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