CAS RN: 1123491-15-5
5,7-Dimethoxy-3-(4-pyridinyl)quinoline dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250825 | 1mg / 10mg / 25mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1123491-15-5
- Purity/Analytical Methods: >99.0%
1123491-15-5 / 5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride
DMPQ Dihydrochloride | 5,7-dimethoxy-3-(4-pyridinyl)quinoline dihydrochloride | DMPQ (hydrochloride)
Basic Information
CAS
1123491-15-5
Multi CAS
Yes
Molecular Formula
C16H16Cl2N2O2
Molecular Weight
339.200000
Exact Mass
338.058883
SMILES
COC1=CC2=C(C=C(C=N2)C3=CC=NC=C3)C(=C1)OC.Cl.Cl
InChI
InChI=1S/C16H14N2O2.2ClH/c1-19-13-8-15-14(16(9-13)20-2)7-12(10-18-15)11-3-5-17-6-4-11;;/h3-10H,1-2H3;2*1H
InChIKey
YBBAOKYVJCNJIV-UHFFFAOYSA-N
Synonyms
DMPQ Dihydrochloride
5,7-dimethoxy-3-(4-pyridinyl)quinoline dihydrochloride
DMPQ (hydrochloride)
DMPQ (dihydrochloride)
5,7-dimethoxy-3-(4-pyridinyl)quinolinedihydrochloride
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
92.57
TPSA
44.24
LogP / Solubility
WLOGP
4.16
MLOGP
3.68
XLogP3
4.16
Consensus LogP
4
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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![CAS 1123661-15-3 8-(Phenylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1123661-15-3.gif)
