Name: Name:1,4-Pentanediamine,N4-[5-(4-fluorophenoxy)-6-methoxy-4-methyl-8-quinolinyl]-
Brand: Angene
SKU: AG003AEE
Rating: 90 (10 reviews)

1,4-Pentanediamine,N4-[5-(4-fluorophenoxy)-6-methoxy-4-methyl-8-quinolinyl]-

CAS No.:

80061-25-2

Catalog Number:

AG003AEE

Molecular Formula:

C22H26FN3O2

Molecular Weight:

383.4591

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

383.201g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

383.467g/mol

Monoisotopic Mass:

383.201g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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