CAS RN: 1624262-18-5
7-Methoxy-N-(3-(trifluoroMethyl)phenyl)quinoline-4-carboxaMide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251104 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1624262-18-5
- Purity/Analytical Methods: >99.0%
1624262-18-5 / 7-methoxy-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
Basic Information
CAS
1624262-18-5
Multi CAS
No
Molecular Formula
C18H13F3N2O2
Molecular Weight
346.300000
Exact Mass
346.092912
SMILES
COC1=CC2=NC=CC(=C2C=C1)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H13F3N2O2/c1-25-13-5-6-14-15(7-8-22-16(14)10-13)17(24)23-12-4-2-3-11(9-12)18(19,20)21/h2-10H,1H3,(H,23,24)
InChIKey
JSWWTZGCYCKAEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.69
TPSA
51.22
LogP / Solubility
WLOGP
4.51
MLOGP
3.99
XLogP3
3.9
Consensus LogP
4.13
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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