![CAS 492444-39-0 3-Quinolinecarbonitrile,4-chloro-6-Methoxy-7-[3-(4-Methyl-1-piperazinyl)propoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/492444-39-0.gif)
CAS RN: 492444-39-0
3-Quinolinecarbonitrile,4-chloro-6-Methoxy-7-[3-(4-Methyl-1-piperazinyl)propoxy]-
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.20250619 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS492444-39-0
- Purity/Analytical Methods: >99.0%
492444-39-0 / 4-chloro-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
Basic Information
CAS
492444-39-0
Multi CAS
No
Molecular Formula
C19H23CLN4O2
Molecular Weight
374.900000
Exact Mass
374.150954
InChI
InChI=1S/C19H23ClN4O2/c1-23-5-7-24(8-6-23)4-3-9-26-18-11-16-15(10-17(18)25-2)19(20)14(12-21)13-22-16/h10-11,13H,3-9H2,1-2H3
InChIKey
DLILOBLDMMRASC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
102.07
TPSA
61.62
LogP / Solubility
WLOGP
2.78
MLOGP
2.47
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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