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Home > Quinoline > 365542-45-6
365542-45-6 | 4-[2-[4-[2-methoxy-5-[2-(4-quinolyl)ethyl]phenoxy]phenyl]ethyl]quinoline dihydrochloride
CAS No: 365542-45-6 Catalog No: AG00JS42 MDL No:MFCD12546750
Product Description
Catalog Number:
AG00JS42
Chemical Name:
4-[2-[4-[2-methoxy-5-[2-(4-quinolyl)ethyl]phenoxy]phenyl]ethyl]quinoline dihydrochloride
CAS Number:
365542-45-6
Molecular Formula:
C35H32Cl2N2O2
Molecular Weight:
583.5468
MDL Number:
MFCD12546750
IUPAC Name:
4-[2-[4-[2-methoxy-5-(2-quinolin-4-ylethyl)phenoxy]phenyl]ethyl]quinoline;dihydrochloride
InChI:
InChI=1S/C35H30N2O2.2ClH/c1-38-34-19-14-26(11-16-28-21-23-37-33-9-5-3-7-31(28)33)24-35(34)39-29-17-12-25(13-18-29)10-15-27-20-22-36-32-8-4-2-6-30(27)32;;/h2-9,12-14,17-24H,10-11,15-16H2,1H3;2*1H
InChI Key:
MXKLHMQIPXRKCL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Oc1ccc(cc1)CCc1ccnc2c1cccc2)CCc1ccnc2c1cccc2.Cl.Cl
Properties
Complexity:
723
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
582.184g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
583.553g/mol
Monoisotopic Mass:
582.184g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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