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65628-69-5 | 4-Quinolinecarboxamide, 2-phenyl-N-(2-phenylethyl)-
CAS No: 65628-69-5 Catalog No: AG006Q8B MDL No:
Product Description
Catalog Number:
AG006Q8B
Chemical Name:
4-Quinolinecarboxamide, 2-phenyl-N-(2-phenylethyl)-
CAS Number:
65628-69-5
Molecular Formula:
C24H20N2O
Molecular Weight:
352.4284
IUPAC Name:
2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide
InChI:
InChI=1S/C24H20N2O/c27-24(25-16-15-18-9-3-1-4-10-18)21-17-23(19-11-5-2-6-12-19)26-22-14-8-7-13-20(21)22/h1-14,17H,15-16H2,(H,25,27)
InChI Key:
LVSGZPVWALHPET-UHFFFAOYSA-N
SMILES:
O=C(c1cc(nc2c1cccc2)c1ccccc1)NCCc1ccccc1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.158g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.437g/mol
Monoisotopic Mass:
352.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Virtual screening to identify novel antagonists for the G protein-coupled NK3 receptor. | Journal of medicinal chemistry 20101125 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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