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CAS 121221-08-7 2-CHLORO-N-QUINOLIN-5-YLACETAMIDE molecular structure lightbox
CAS RN: 121221-08-7

2-CHLORO-N-QUINOLIN-5-YLACETAMIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260201 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS121221-08-7
  • Purity/Analytical Methods: >99.0%
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121221-08-7 / 2-chloro-N-quinolin-5-ylacetamide

2-chloro-N-quinolin-5-ylacetamide | 2-Chloro-N-(quinolin-5-yl)acetamide | 2-Chloro-N-5-quinolinylacetamide

Standard CAS: 121221-08-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121221-08-7
Multi CAS
No
Molecular Formula
C11H9ClN2O
Molecular Weight
220.650000
Exact Mass
220.040341
SMILES
C1=CC2=C(C=CC=N2)C(=C1)NC(=O)CCl
InChI
InChI=1S/C11H9ClN2O/c12-7-11(15)14-10-5-1-4-9-8(10)3-2-6-13-9/h1-6H,7H2,(H,14,15)
InChIKey
IQXGPGINYWVRSU-UHFFFAOYSA-N
Synonyms
2-chloro-N-quinolin-5-ylacetamide 2-Chloro-N-(quinolin-5-yl)acetamide 2-Chloro-N-5-quinolinylacetamide Acetamide,2-chloro-N-5-quinolinyl- MFCD02049243

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.09
TPSA
41.99

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.4
Consensus LogP
2.31
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.35

Drug-likeness / Medicinal Chemistry

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

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