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103914-11-0 | 4-Piperidinecarboxamide, 1-[2-(4-chlorophenyl)-4-quinolinyl]-N-ethyl-
CAS No: 103914-11-0 Catalog No: AG008578 MDL No:
Product Description
Catalog Number:
AG008578
Chemical Name:
4-Piperidinecarboxamide, 1-[2-(4-chlorophenyl)-4-quinolinyl]-N-ethyl-
CAS Number:
103914-11-0
Molecular Formula:
C23H24ClN3O
Molecular Weight:
393.9092
IUPAC Name:
1-[2-(4-chlorophenyl)quinolin-4-yl]-N-ethylpiperidine-4-carboxamide
InChI:
InChI=1S/C23H24ClN3O/c1-2-25-23(28)17-11-13-27(14-12-17)22-15-21(16-7-9-18(24)10-8-16)26-20-6-4-3-5-19(20)22/h3-10,15,17H,2,11-14H2,1H3,(H,25,28)
InChI Key:
POHAJGDSIWENJV-UHFFFAOYSA-N
SMILES:
CCNC(=O)C1CCN(CC1)c1cc(nc2c1cccc2)c1ccc(cc1)Cl
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.161g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.915g/mol
Monoisotopic Mass:
393.161g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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