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203395-84-0 | 2(1H)-Quinolinone, 7-[4-[4-(2-bromophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-
CAS No: 203395-84-0 Catalog No: AG0028V4 MDL No:
Product Description
Catalog Number:
AG0028V4
Chemical Name:
2(1H)-Quinolinone, 7-[4-[4-(2-bromophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-
CAS Number:
203395-84-0
Molecular Formula:
C23H28BrN3O2
Molecular Weight:
458.3913
IUPAC Name:
7-[4-[4-(2-bromophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C23H28BrN3O2/c24-20-5-1-2-6-22(20)27-14-12-26(13-15-27)11-3-4-16-29-19-9-7-18-8-10-23(28)25-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,25,28)
InChI Key:
BRNJRGYNAGBQRV-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1ccccc1Br
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.136g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
458.4g/mol
Monoisotopic Mass:
457.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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