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89242-41-1 | 3-Isoquinolinecarboxamide, 1-(4-chlorophenyl)-N,N-diethyl-
CAS No: 89242-41-1 Catalog No: AG004491 MDL No:
Product Description
Catalog Number:
AG004491
Chemical Name:
3-Isoquinolinecarboxamide, 1-(4-chlorophenyl)-N,N-diethyl-
CAS Number:
89242-41-1
Molecular Formula:
C20H19ClN2O
Molecular Weight:
338.8307
IUPAC Name:
1-(4-chlorophenyl)-N,N-diethylisoquinoline-3-carboxamide
InChI:
InChI=1S/C20H19ClN2O/c1-3-23(4-2)20(24)18-13-15-7-5-6-8-17(15)19(22-18)14-9-11-16(21)12-10-14/h5-13H,3-4H2,1-2H3
InChI Key:
DIKPMXPRNPSFJD-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cc2ccccc2c(n1)c1ccc(cc1)Cl)CC
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.119g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.835g/mol
Monoisotopic Mass:
338.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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