CAS RN: 1070879-89-8
8-ETHYL-2-PROPYL-4-QUINOLINOL
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS1070879-89-8
- Purity/Analytical Methods: >99.0%
1070879-89-8 / 8-ethyl-2-propyl-1H-quinolin-4-one
8-Ethyl-2-propyl-4-quinolinol | 8-Ethyl-4-hydroxy-2-propylquinoline | 4-Quinolinol, 8-ethyl-2-propyl-
Basic Information
CAS
1070879-89-8
Multi CAS
No
Molecular Formula
C14H17NO
Molecular Weight
215.290000
Exact Mass
215.131014
SMILES
CCCC1=CC(=O)C2=CC=CC(=C2N1)CC
InChI
InChI=1S/C14H17NO/c1-3-6-11-9-13(16)12-8-5-7-10(4-2)14(12)15-11/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)
InChIKey
WSKVYQCYWIBUCH-UHFFFAOYSA-N
Synonyms
8-Ethyl-2-propyl-4-quinolinol
8-Ethyl-4-hydroxy-2-propylquinoline
4-Quinolinol, 8-ethyl-2-propyl-
8-ethyl-2-propylquinolin-4-ol
DTXSID80653735
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.94
TPSA
32.86
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
3.5
Consensus LogP
3.07
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87
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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