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CAS 2216750-84-2 2-((6-Amino-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)oxy)-N-methylacetamide molecular structure lightbox
CAS RN: 2216750-84-2

2-((6-Amino-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)oxy)-N-methylacetamide

  • Product code: SSC-106633
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2216750-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

2216750-84-2 / 2-(6-amino-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide

Standard CAS: 2216750-84-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2216750-84-2
Multi CAS
No
Molecular Formula
C13H15N3O3
Molecular Weight
261.280000
Exact Mass
261.111341
SMILES
CNC(=O)COC1=CC2=C(C=CC(=C2)N)N(C1=O)C
InChI
InChI=1S/C13H15N3O3/c1-15-12(17)7-19-11-6-8-5-9(14)3-4-10(8)16(2)13(11)18/h3-6H,7,14H2,1-2H3,(H,15,17)
InChIKey
TYKIXFBEVPTUMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.16
TPSA
86.35

LogP / Solubility

WLOGP
0.25
MLOGP
0.22
XLogP3
0.4
Consensus LogP
0.29
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.14

Drug-likeness / Medicinal Chemistry

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

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