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113637-06-2 | 2-Quinolinecarboxamide, N-[3-(dimethylamino)-1-phenylpropyl]-
CAS No: 113637-06-2 Catalog No: AG00096M MDL No:
Product Description
Catalog Number:
AG00096M
Chemical Name:
2-Quinolinecarboxamide, N-[3-(dimethylamino)-1-phenylpropyl]-
CAS Number:
113637-06-2
Molecular Formula:
C21H23N3O
Molecular Weight:
333.4268
IUPAC Name:
N-[3-(dimethylamino)-1-phenylpropyl]quinoline-2-carboxamide
InChI:
InChI=1S/C21H23N3O/c1-24(2)15-14-19(16-8-4-3-5-9-16)23-21(25)20-13-12-17-10-6-7-11-18(17)22-20/h3-13,19H,14-15H2,1-2H3,(H,23,25)
InChI Key:
NLQWAWUOBFNXQP-UHFFFAOYSA-N
SMILES:
CN(CCC(c1ccccc1)NC(=O)c1ccc2c(n1)cccc2)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.184g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.435g/mol
Monoisotopic Mass:
333.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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