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CAS 156215-58-6 2-Amino-1-methylimidazo[4,5-b]quinoline molecular structure lightbox
CAS RN: 156215-58-6

2-Amino-1-methylimidazo[4,5-b]quinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS156215-58-6
  • Purity/Analytical Methods: >99.0%
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156215-58-6 / 1-methylimidazo[4,5-b]quinolin-2-amine

Standard CAS: 156215-58-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
156215-58-6
Multi CAS
No
Molecular Formula
C11H10N4
Molecular Weight
198.220000
Exact Mass
198.090546
SMILES
CN1C2=CC3=CC=CC=C3N=C2N=C1N
InChI
InChI=1S/C11H10N4/c1-15-9-6-7-4-2-3-5-8(7)13-10(9)14-11(15)12/h2-6H,1H3,(H2,12,13,14)
InChIKey
NWZPKLJMJMZZEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
13
Fraction Csp3
0.09
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.43
TPSA
56.73

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.72

Drug-likeness / Medicinal Chemistry

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

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