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80061-25-2 | 1,4-Pentanediamine,N4-[5-(4-fluorophenoxy)-6-methoxy-4-methyl-8-quinolinyl]-
CAS No: 80061-25-2 Catalog No: AG003AEE MDL No:
Product Description
Catalog Number:
AG003AEE
Chemical Name:
1,4-Pentanediamine,N4-[5-(4-fluorophenoxy)-6-methoxy-4-methyl-8-quinolinyl]-
CAS Number:
80061-25-2
Molecular Formula:
C22H26FN3O2
Molecular Weight:
383.4591
IUPAC Name:
4-N-[5-(4-fluorophenoxy)-6-methoxy-4-methylquinolin-8-yl]pentane-1,4-diamine
InChI:
InChI=1S/C22H26FN3O2/c1-14-10-12-25-21-18(26-15(2)5-4-11-24)13-19(27-3)22(20(14)21)28-17-8-6-16(23)7-9-17/h6-10,12-13,15,26H,4-5,11,24H2,1-3H3
InChI Key:
PUTKXMDXVJKFKD-UHFFFAOYSA-N
SMILES:
NCCCC(Nc1cc(OC)c(c2c1nccc2C)Oc1ccc(cc1)F)C
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.201g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.467g/mol
Monoisotopic Mass:
383.201g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Inhibition of human monoamine oxidase A and B by 5-phenoxy 8-aminoquinoline analogs. | Bioorganic & medicinal chemistry letters 20120215 |
| Exploring biosynthetic diversity with trichodiene synthase. | Archives of biochemistry and biophysics 20071015 |
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