Home Halogens 7-(4-{[7-(4-chlorobutoxy)quinolin-2-yl]oxy}butoxy)-1,2-dihydroquinolin-2-one hydrochloride

7-(4-{[7-(4-chlorobutoxy)quinolin-2-yl]oxy}butoxy)-1,2-dihydroquinolin-2-one hydrochloride

CAS No.:
2059942-14-0
Catalog Number:
AG01C0GT
Molecular Formula:
C26H28Cl2N2O4
Molecular Weight:
503.4175
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Product Description
Catalog Number:
AG01C0GT
Chemical Name:
7-(4-{[7-(4-chlorobutoxy)quinolin-2-yl]oxy}butoxy)-1,2-dihydroquinolin-2-one hydrochloride
CAS Number:
2059942-14-0
Molecular Formula:
C26H28Cl2N2O4
Molecular Weight:
503.4175
MDL Number:
MFCD30497999
IUPAC Name:
7-[4-[7-(4-chlorobutoxy)quinolin-2-yl]oxybutoxy]-1H-quinolin-2-one;hydrochloride
InChI:
InChI=1S/C26H27ClN2O4.ClH/c27-13-1-2-14-31-22-10-6-20-8-12-26(29-24(20)18-22)33-16-4-3-15-32-21-9-5-19-7-11-25(30)28-23(19)17-21;/h5-12,17-18H,1-4,13-16H2,(H,28,30);1H
InChI Key:
ITASROLJWFHUBN-UHFFFAOYSA-N
SMILES:
ClCCCCOc1ccc2c(c1)nc(cc2)OCCCCOc1ccc2c(c1)[nH]c(=O)cc2.Cl
Properties
Complexity:
633  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.143g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
503.42g/mol
Monoisotopic Mass:
502.143g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties