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(1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amine , CAS No.B668353

COA COA
  • Molecular Weight:  304.4
  • PubChem CID: 656767
In stock
Item Number
B668353
Grouped product items
SKU Size
Availability
 Price Qty
B668353-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
B668353-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms CP-339818 | CP 339818 | Tocris-1399 | (1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amine | C13847 | N-(1-Benzylquinolin-4(1H)-ylidene)pentan-1-amine | AC1LCVJB | 1-benzyl-N-pentylquinolin-4-imine | SureCN12648579 | GTPL2558 | CHEBI:34602 | 1-benzyl-N-pentyl-qu

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Quinolines and derivatives
Subclass 1-benzylquinolines
Intermediate Tree Nodes Not available
Direct Parent 1-benzylquinolines
Alternative Parents Hydroquinolines  Pyridines and derivatives  Benzene and substituted derivatives  Secondary ketimines  Heteroaromatic compounds  Azacyclic compounds  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents 1-benzylquinoline - Dihydroquinoline - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Secondary ketimine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as 1-benzylquinolines. These are organic aromatic compounds containing a quinoline that is substituted at the 1-position by a benzyl group.
External Descriptors Not available

Product Properties

ALogP 5.1

Associated Targets(Human)

KCNA4 Tclin Potassium voltage-gated channel subfamily A member 4 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KCNA3 Tclin Voltage-gated potassium channel subunit Kv1.3 (1067 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 1-benzyl-N-pentylquinolin-4-imine
INCHI InChI=1S/C21H24N2/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21/h4-8,10-14,16H,2-3,9,15,17H2,1H3
InChIKey MMGAVKCAGQCFHS-UHFFFAOYSA-N
Smiles CCCCCN=C1C=CN(C2=CC=CC=C12)CC3=CC=CC=C3
Isomeric SMILES CCCCCN=C1C=CN(C2=CC=CC=C12)CC3=CC=CC=C3
PubChem CID 656767
Molecular Weight 304.4

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 304.400 g/mol
XLogP3 5.100
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 304.194 Da
Monoisotopic Mass 304.194 Da
Topological Polar Surface Area 15.600 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 406.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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