P. aeruginosa Metabolome Database: 2-nonyl-4-hydroxyquinoline (NHQ) (PAMDB100073)

Identification Taxonomy Physical Properties Biological Properties Spectra Concentrations Links References Enzymes Transporters

Proteins (3280)

Record Information

Version

1.0

Update Date

1/22/2018 12:54:54 PM

Metabolite ID

PAMDB100073

Identification

Name:

2-nonyl-4-hydroxyquinoline (NHQ)

Description:

2-nonyl-4-hydroxyquinoline (NHQ) is a C9 congener of HHQ which is an important quorum signaling molecule in P. aeruginosa. NHQ properties are predicted based on analogy to HHQ.

Structure

🔍MOL SDF PDB SMILES InChI View Structure

Synonyms:

• 2-nonyl-4-hydroxyquinoline

• 2-nonyl-4(1H)-quinolone

• 4-hydroxy-2-nonylquinoline

• 2-nonyl-4-quinolinol

• NHQ

Chemical Formula:

C₁₈H₂₅NO

Average Molecular Weight:

272.1

Monoisotopic Molecular Weight:

272.1

InChI Key:

Not Available

InChI:

Not Available

CAS number:

Not Available

IUPAC Name:

2-nonyl-4-quinolinol

Traditional IUPAC Name:

Not Available

SMILES:

Not Available

Chemical Taxonomy

Taxonomy Description

Not Available

Kingdom

Not Available

Super Class

Not Available

Class

Not Available

Sub Class

Not Available

Direct Parent

Not Available

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Not Available

External Descriptors

Not Available

Physical Properties

State:

Solid, off white powder

Charge:

Melting point:

Not Available

Experimental Properties:

Soluble in DMSO 5 mg/mL

Predicted Properties

Property	Value	Source
Water Solubility	2.1 mg/L	EPIsuite
logP	4.90	ChemAxon
logS		ALOGPS
pKa (Strongest Acidic)		ChemAxon
pKa (Strongest Basic)		ChemAxon
Physiological Charge		ChemAxon
Hydrogen Acceptor Count		ChemAxon
Hydrogen Donor Count		ChemAxon
Polar Surface Area	29.10 Å2	ChemAxon
Solvent Accessible surface area	404.99	ChemAxon
Rotatable Bond Count	6	ChemAxon
Molar Refractivity	74.0 cm3	ACD/Labs
Polarizability	29.3 10-24cm3	ACD/Labs
Density	1.0 g/cm3	ACD/Labs
Boiling point	361.5°C at 760 mmHg
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule		ChemAxon
Lead likeness	No	ChemAxon
Muegge Filter	Yes	ChemAxon

Biological Properties

Cellular Locations:

Not Available

Reactions:

Pathways:

Spectra

Spectra:

Not Available

References

References:

Nguyen, A., Oglesby-Sherrouse, A. (2016). “Interactions between Pseudomonas aeruginosa and Staphylococcus aureus during co-cultivations and polymicrobial infections." Appl Microb and Biotech. Pubmed: 27236810

Synthesis Reference:

Not Available

Material Safety Data Sheet (MSDS)

Not Available

Links

External Links:

Resource	Link
PubChem	164974
Chemspider	144633

2-nonyl-4-hydroxyquinoline (NHQ) (PAMDB100073)

Structure for 2-nonyl-4-hydroxyquinoline (NHQ) (PAMDB100073)

Structure for
2-nonyl-4-hydroxyquinoline (NHQ)
(PAMDB100073)