N1-Isopropyl-N5-(6-methoxy-8-quinolyl)-1,5-pentanediamine - CAS 86-78-2

Name: N1-Isopropyl-N5-(6-methoxy-8-quinolyl)-1,5-pentanediamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038065
Product Name:	N1-Isopropyl-N5-(6-methoxy-8-quinolyl)-1,5-pentanediamine
CAS:	86-78-2
Synonyms:	N-(6-methoxy-8-quinolinyl)-N'-propan-2-ylpentane-1,5-diamine; N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine

Technical Data

IUPAC Name:	N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine
Description:	N1-Isopropyl-N5-(6-methoxy-8-quinolyl)-1,5-pentanediamine (CAS# 86-78-2) is an intermediate used in the synthesis of Chlorpyriphos-methyl-d6 (C425332), which is an isotope labelled Chlorpyriphos-methyl is an derivative of Chlorpyrifos (C425300), an insecticide that acts on the nervous system of insects by inhibiting acetylcholinesterase.
Molecular Weight:	301.43
Molecular Formula:	C18H27N3O
Canonical SMILES:	CC(C)NCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2
InChI:	InChI=1S/C18H27N3O/c1-14(2)19-9-5-4-6-10-20-17-13-16(22-3)12-15-8-7-11-21-18(15)17/h7-8,11-14,19-20H,4-6,9-10H2,1-3H3
InChI Key:	VKXQZROIIKPELG-UHFFFAOYSA-N
Boiling Point:	472.7 °C at 760 mmHg
Density:	1.057 g/cm³
LogP:	4.28750

Publication Number	Title	Priority Date
WO-2021211923-A1	Compositions and methods for treating disease	20200416
WO-2021204717-A1	Aminoquinolines for treating coronavirus infections	20200406
CN-110870858-A	Pharmaceutical compositions comprising organic acid acidifying agents and conventional ineffective compounds and uses thereof	20180831
CN-110870860-A	Pharmaceutical composition comprising amino acid nutrients and conventional ineffective compounds and use thereof	20180831
CN-110870869-A	Pharmaceutical composition comprising carbohydrate nutrients and conventional ineffective compounds and use thereof	20180831

PMID	Publication Date	Title	Journal
18834112	20081113	Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors	Journal of medicinal chemistry
11813295	20020101	Mutagenic activity and mutational specificity of antiprotozoal drugs with and without nitrite treatment	Environmental and molecular mutagenesis

Complexity:	298
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	301.215412493
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	301.215412493
Rotatable Bond Count:	9
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5