CAS RN: 30696-07-2
N-Phenylquinoline-4-amine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS30696-07-2
- Purity/Analytical Methods: >99.0%
30696-07-2 / N-phenylquinolin-4-amine
Basic Information
CAS
30696-07-2
Multi CAS
No
Molecular Formula
C15H12N2
Molecular Weight
220.270000
Exact Mass
220.100048
InChI
InChI=1S/C15H12N2/c1-2-6-12(7-3-1)17-15-10-11-16-14-9-5-4-8-13(14)15/h1-11H,(H,16,17)
InChIKey
NRTUTGBOQZQBMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.47
TPSA
24.92
LogP / Solubility
WLOGP
3.98
MLOGP
3.5
XLogP3
2.4
Consensus LogP
3.29
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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