ChemFOnt: Showing chemical card for 4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid (CFc000226922)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:51:34 UTC

Chemfont ID

CFc000226922

Molecule Identification

Common Name

4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid

Definition

4-[(6-methoxyquinolin-8-yl)amino]pentanoic acid belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. Based on a literature review very few articles have been published on 4-[(6-methoxyquinolin-8-yl)amino]pentanoic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
4-[(6-Methoxyquinolin-8-yl)amino]pentanoate	Generator
4-((6-Methoxyquinolin-8-yl)amino)pentanoate	Generator
8-(3-Carboxy-1-methylpropylamino)-6-methoxyquinoline	MeSH
CMPAMOQ	MeSH
Carboxyprimaquine	MeSH

Chemical Formula

C₁₅H₁₈N₂O₃

Average Molecular Weight

274.32

Monoisotopic Molecular Weight

274.131742448

IUPAC Name

4-[(6-methoxyquinolin-8-yl)amino]pentanoic acid

Traditional Name

4-[(6-methoxyquinolin-8-yl)amino]pentanoic acid

CAS Registry Number

Not Available

SMILES

COC1=CC(NC(C)CCC(O)=O)=C2N=CC=CC2=C1

InChI Identifier

InChI=1S/C15H18N2O3/c1-10(5-6-14(18)19)17-13-9-12(20-2)8-11-4-3-7-16-15(11)13/h3-4,7-10,17H,5-6H2,1-2H3,(H,18,19)

InChI Key

KIMKJIXTIWKABF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Gamma amino acids and derivatives

Alternative Parents

Substituents

Gamma amino acid or derivatives
Aminoquinoline
Quinoline
Methoxyaniline
Anisole
Alkyl aryl ether
Amino fatty acid
Secondary aliphatic/aromatic amine
Pyridine
Fatty acyl
Benzenoid
Heteroaromatic compound
Amino acid
Carboxylic acid
Ether
Monocarboxylic acid or derivatives
Azacycle
Organoheterocyclic compound
Secondary amine
Hydrocarbon derivative
Amine
Organic nitrogen compound
Carbonyl group
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.085 g/L	ALOGPS
logP	2.72	ALOGPS
logP	1.33	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	4.46	ChemAxon
pKa (Strongest Basic)	3.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	71.45 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	76.59 m³·mol⁻¹	ChemAxon
Polarizability	29.52 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0247386

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

113154

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid (CFc000226922)

MOL for CFc000226922 (4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid)

3D MOL for CFc000226922 (4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid)

3D SDF for CFc000226922 (4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid)

3D-SDF for CFc000226922 (4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid)

PDB for CFc000226922 (4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid)

3D PDB for CFc000226922 (4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid)

SMILES for CFc000226922 (4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid)

INCHI for CFc000226922 (4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid)

Structure for CFc000226922 (4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid)

3D Structure for CFc000226922 (4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid)