[email protected]
CAS 104217-23-4 4-AMINO-6-METHOXY-2-METHYLQUINOLINE molecular structure lightbox
CAS RN: 104217-23-4

4-AMINO-6-METHOXY-2-METHYLQUINOLINE

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250822 1g In stock Inquiry
Batchno.20260224 250mg In stock Inquiry
  • Product code: starshine_CAS104217-23-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

104217-23-4 / 6-methoxy-2-methylquinolin-4-amine

4-Amino-6-methoxy-2-methylquinoline | RefChem:518008 | 689-055-5

Standard CAS: 104217-23-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104217-23-4
Multi CAS
No
Molecular Formula
C11H12N2O
Molecular Weight
188.230000
Exact Mass
188.094963
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)N
InChI
InChI=1S/C11H12N2O/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)13-7/h3-6H,1-2H3,(H2,12,13)
InChIKey
KLQQFYUSSBAOFT-UHFFFAOYSA-N
Synonyms
4-Amino-6-methoxy-2-methylquinoline RefChem:518008 689-055-5 6-methoxy-2-methylquinolin-4-amine 4-Quinolinamine,6-methoxy-2-methyl-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.44
TPSA
48.14

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us