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922734-65-4 | Quinoline, 3-methyl-4-phenoxy-8-(1-piperazinyl)-
CAS No: 922734-65-4 Catalog No: AG006LCB MDL No:
Product Description
Catalog Number:
AG006LCB
Chemical Name:
Quinoline, 3-methyl-4-phenoxy-8-(1-piperazinyl)-
CAS Number:
922734-65-4
Molecular Formula:
C20H21N3O
Molecular Weight:
319.4002
IUPAC Name:
3-methyl-4-phenoxy-8-piperazin-1-ylquinoline
InChI:
InChI=1S/C20H21N3O/c1-15-14-22-19-17(20(15)24-16-6-3-2-4-7-16)8-5-9-18(19)23-12-10-21-11-13-23/h2-9,14,21H,10-13H2,1H3
InChI Key:
XYGUFFPDMIIWTB-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1Oc1ccccc1)cccc2N1CCNCC1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.408g/mol
Monoisotopic Mass:
319.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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