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89242-05-7 | 3-Isoquinolinecarboxamide, N,N-dimethyl-1-phenyl-
CAS No: 89242-05-7 Catalog No: AG004495 MDL No:
Product Description
Catalog Number:
AG004495
Chemical Name:
3-Isoquinolinecarboxamide, N,N-dimethyl-1-phenyl-
CAS Number:
89242-05-7
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
N,N-dimethyl-1-phenylisoquinoline-3-carboxamide
InChI:
InChI=1S/C18H16N2O/c1-20(2)18(21)16-12-14-10-6-7-11-15(14)17(19-16)13-8-4-3-5-9-13/h3-12H,1-2H3
InChI Key:
ZXEJBIUBMVRYND-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1cc2ccccc2c(n1)c1ccccc1)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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