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922734-50-7 | Quinoline, 4-(3-methoxyphenoxy)-3-methyl-8-(1-piperazinyl)-
CAS No: 922734-50-7 Catalog No: AG0069RL MDL No:
Product Description
Catalog Number:
AG0069RL
Chemical Name:
Quinoline, 4-(3-methoxyphenoxy)-3-methyl-8-(1-piperazinyl)-
CAS Number:
922734-50-7
Molecular Formula:
C21H23N3O2
Molecular Weight:
349.4262
IUPAC Name:
4-(3-methoxyphenoxy)-3-methyl-8-piperazin-1-ylquinoline
InChI:
InChI=1S/C21H23N3O2/c1-15-14-23-20-18(7-4-8-19(20)24-11-9-22-10-12-24)21(15)26-17-6-3-5-16(13-17)25-2/h3-8,13-14,22H,9-12H2,1-2H3
InChI Key:
KDFYGBYUWXMDDM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Oc1c(C)cnc2c1cccc2N1CCNCC1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.434g/mol
Monoisotopic Mass:
349.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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