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69760-54-9

69760-54-9 | 1-[2-(4-chlorophenyl)-5,8-dimethoxyquinolin-4-yl]-2-(dibutylamino)ethanol

CAS No: 69760-54-9 Catalog No: AG005I0U MDL No:

Product Description

Catalog Number:
AG005I0U
Chemical Name:
1-[2-(4-chlorophenyl)-5,8-dimethoxyquinolin-4-yl]-2-(dibutylamino)ethanol
CAS Number:
69760-54-9
Molecular Formula:
C27H35ClN2O3
Molecular Weight:
471.0314
IUPAC Name:
1-[2-(4-chlorophenyl)-5,8-dimethoxyquinolin-4-yl]-2-(dibutylamino)ethanol
InChI:
InChI=1S/C27H35ClN2O3/c1-5-7-15-30(16-8-6-2)18-23(31)21-17-22(19-9-11-20(28)12-10-19)29-27-25(33-4)14-13-24(32-3)26(21)27/h9-14,17,23,31H,5-8,15-16,18H2,1-4H3
InChI Key:
KPOILTSCJDYLEH-UHFFFAOYSA-N
SMILES:
CCCCN(CC(c1cc(nc2c1c(OC)ccc2OC)c1ccc(cc1)Cl)O)CCCC
NSC Number:
142468

Properties

Complexity:
538  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.234g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
471.038g/mol
Monoisotopic Mass:
470.234g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  

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