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89257-75-0 | 2-Quinolinecarboxamide, N,N-diethyl-4-phenyl-
CAS No: 89257-75-0 Catalog No: AG0042ZM MDL No:
Product Description
Catalog Number:
AG0042ZM
Chemical Name:
2-Quinolinecarboxamide, N,N-diethyl-4-phenyl-
CAS Number:
89257-75-0
Molecular Formula:
C20H20N2O
Molecular Weight:
304.3856
IUPAC Name:
N,N-diethyl-4-phenylquinoline-2-carboxamide
InChI:
InChI=1S/C20H20N2O/c1-3-22(4-2)20(23)19-14-17(15-10-6-5-7-11-15)16-12-8-9-13-18(16)21-19/h5-14H,3-4H2,1-2H3
InChI Key:
VNGRDQIGMNKAIH-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1nc2ccccc2c(c1)c1ccccc1)CC
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.393g/mol
Monoisotopic Mass:
304.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Mapping and fitting the peripheral benzodiazepine receptor binding site by carboxamide derivatives. Comparison of different approaches to quantitative ligand-receptor interaction modeling. | Journal of medicinal chemistry 20010412 |
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