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CAS 106139-28-0 2-Quinolinecarboxylicacid,7-amino-(9CI) molecular structure lightbox
CAS RN: 106139-28-0

2-Quinolinecarboxylicacid,7-amino-(9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250312 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS106139-28-0
  • Purity/Analytical Methods: >99.0%
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106139-28-0 / 7-aminoquinoline-2-carboxylic acid

7-AMINOQUINOLINE-2-CARBOXYLIC ACID | DTXSID80626747 | RefChem:310293

Standard CAS: 106139-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106139-28-0
Multi CAS
No
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
SMILES
C1=CC(=CC2=C1C=CC(=N2)C(=O)O)N
InChI
InChI=1S/C10H8N2O2/c11-7-3-1-6-2-4-8(10(13)14)12-9(6)5-7/h1-5H,11H2,(H,13,14)
InChIKey
VVRMARFHABQOAT-UHFFFAOYSA-N
Synonyms
7-AMINOQUINOLINE-2-CARBOXYLIC ACID DTXSID80626747 RefChem:310293 DTXCID00577500 MFCD18816931

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.11
TPSA
76.21

LogP / Solubility

WLOGP
1.52
MLOGP
1.33
XLogP3
1.4
Consensus LogP
1.42
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.79

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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