CAS RN: 120209-22-5

Quinoline, 6-hydrazino-, Monohydrochloride

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  • Product code: starshine_CAS120209-22-5
  • Purity/Analytical Methods: >99.0%
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120209-22-5 / quinolin-6-ylhydrazine;hydrochloride

6-Hydrazinylquinoline hydrochloride | QUINOLIN-6-YL-HYDRAZINE HYDROCHLORIDE | quinolin-6-ylhydrazine;hydrochloride

Standard CAS: 120209-22-5 Multi CAS: No

Basic Information

CAS
120209-22-5
Multi CAS
No
Molecular Formula
C9H10ClN3
Molecular Weight
195.650000
Exact Mass
195.056325
SMILES
C1=CC2=C(C=CC(=C2)NN)N=C1.Cl
InChI
InChI=1S/C9H9N3.ClH/c10-12-8-3-4-9-7(6-8)2-1-5-11-9;/h1-6,12H,10H2;1H
InChIKey
IYTZOVRQMIGNHZ-UHFFFAOYSA-N
Synonyms
6-Hydrazinylquinoline hydrochloride QUINOLIN-6-YL-HYDRAZINE HYDROCHLORIDE quinolin-6-ylhydrazine;hydrochloride 6-HYDRAZINYLQUINOLINE HCL MFCD06738868

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.8
TPSA
50.94

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.94
Consensus LogP
1.86
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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