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113431-33-7 | 8-Quinolinecarboxamide, N-[2-(dimethylamino)ethyl]-3-phenyl-
CAS No: 113431-33-7 Catalog No: AG0008JT MDL No:
Product Description
Catalog Number:
AG0008JT
Chemical Name:
8-Quinolinecarboxamide, N-[2-(dimethylamino)ethyl]-3-phenyl-
CAS Number:
113431-33-7
Molecular Formula:
C20H21N3O
Molecular Weight:
319.4002
IUPAC Name:
N-[2-(dimethylamino)ethyl]-3-phenylquinoline-8-carboxamide
InChI:
InChI=1S/C20H21N3O/c1-23(2)12-11-21-20(24)18-10-6-9-16-13-17(14-22-19(16)18)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,21,24)
InChI Key:
INTAOFYQFWWHSC-UHFFFAOYSA-N
SMILES:
CN(CCNC(=O)c1cccc2c1ncc(c2)c1ccccc1)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.408g/mol
Monoisotopic Mass:
319.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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