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115618-99-0 | Benzo[g]quinolin-4-amine, N-[4-(4-ethyl-1-piperazinyl)phenyl]-
CAS No: 115618-99-0 Catalog No: AG000G97 MDL No:
Product Description
Catalog Number:
AG000G97
Chemical Name:
Benzo[g]quinolin-4-amine, N-[4-(4-ethyl-1-piperazinyl)phenyl]-
CAS Number:
115618-99-0
Molecular Formula:
C25H26N4
Molecular Weight:
382.5007
IUPAC Name:
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzo[g]quinolin-4-amine
InChI:
InChI=1S/C25H26N4/c1-2-28-13-15-29(16-14-28)22-9-7-21(8-10-22)27-24-11-12-26-25-18-20-6-4-3-5-19(20)17-23(24)25/h3-12,17-18H,2,13-16H2,1H3,(H,26,27)
InChI Key:
FGVVQTVRBTWGJA-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1ccc(cc1)Nc1ccnc2c1cc1ccccc1c2
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.216g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.511g/mol
Monoisotopic Mass:
382.216g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Identification of non-nucleoside DNA synthesis inhibitors of vaccinia virus by high-throughput screening. | Journal of medicinal chemistry 20081023 |
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