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1228168-11-3 | Benzo[b][1,6]naphthyridine-2(1H)-acetamide, N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-10-[(4-methyl-1-piperazinyl)carbonyl]-
CAS No: 1228168-11-3 Catalog No: AG000JIJ MDL No:MFCD22376815
Product Description
Catalog Number:
AG000JIJ
Chemical Name:
Benzo[b][1,6]naphthyridine-2(1H)-acetamide, N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-10-[(4-methyl-1-piperazinyl)carbonyl]-
CAS Number:
1228168-11-3
Molecular Formula:
C27H30ClN5O3
Molecular Weight:
508.0118
MDL Number:
MFCD22376815
IUPAC Name:
N-(5-chloro-2-methoxyphenyl)-2-[10-(4-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
InChI:
InChI=1S/C27H30ClN5O3/c1-31-11-13-33(14-12-31)27(35)26-19-5-3-4-6-21(19)29-22-9-10-32(16-20(22)26)17-25(34)30-23-15-18(28)7-8-24(23)36-2/h3-8,15H,9-14,16-17H2,1-2H3,(H,30,34)
InChI Key:
GNGWWPQYKWZIFS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)CN1CCc2c(C1)c(C(=O)N1CCN(CC1)C)c1c(n2)cccc1)Cl
Properties
Complexity:
779
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.204g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
508.019g/mol
Monoisotopic Mass:
507.204g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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