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Home > Quinoline > 865813-64-5
865813-64-5 | Quinoline, 4-(4-methyl-1-piperazinyl)-2-(2-naphthalenyl)-6-phenyl-
CAS No: 865813-64-5 Catalog No: AG008FKX MDL No:
Product Description
Catalog Number:
AG008FKX
Chemical Name:
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(2-naphthalenyl)-6-phenyl-
CAS Number:
865813-64-5
Molecular Formula:
C30H27N3
Molecular Weight:
429.5555
IUPAC Name:
4-(4-methylpiperazin-1-yl)-2-naphthalen-2-yl-6-phenylquinoline
InChI:
InChI=1S/C30H27N3/c1-32-15-17-33(18-16-32)30-21-29(26-12-11-23-9-5-6-10-24(23)19-26)31-28-14-13-25(20-27(28)30)22-7-3-2-4-8-22/h2-14,19-21H,15-18H2,1H3
InChI Key:
AJVJAFXLNRFLJI-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cc(nc2c1cc(cc2)c1ccccc1)c1ccc2c(c1)cccc2
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.22g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
429.567g/mol
Monoisotopic Mass:
429.22g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
19.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| Fujita-Ban QSAR analysis and CoMFA study of quinoline antagonists of immunostimulatory CpG-oligodeoxynucleotides. | Bioorganic & medicinal chemistry 20070101 |
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