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CAS 104293-76-7 Ethyl 8-hydroxyquinoline-5-carboxylate molecular structure lightbox
CAS RN: 104293-76-7

Ethyl 8-hydroxyquinoline-5-carboxylate

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Batchno.20250608 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS104293-76-7
  • Purity/Analytical Methods: >99.0%
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104293-76-7 / ethyl 8-hydroxyquinoline-5-carboxylate

ethyl 8-hydroxyquinoline-5-carboxylate | MFCD18416650 | 5-Quinolinecarboxylic acid, 8-hydroxy-, ethyl ester

Standard CAS: 104293-76-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
104293-76-7
Multi CAS
No
Molecular Formula
C12H11NO3
Molecular Weight
217.220000
Exact Mass
217.073893
SMILES
CCOC(=O)C1=C2C=CC=NC2=C(C=C1)O
InChI
InChI=1S/C12H11NO3/c1-2-16-12(15)9-5-6-10(14)11-8(9)4-3-7-13-11/h3-7,14H,2H2,1H3
InChIKey
LYFNAHDRMCPGLF-UHFFFAOYSA-N
Synonyms
ethyl 8-hydroxyquinoline-5-carboxylate MFCD18416650 5-Quinolinecarboxylic acid, 8-hydroxy-, ethyl ester SCHEMBL10721794 ethyl8-hydroxyquinoline-5-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.36
TPSA
59.42

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
2.5
Consensus LogP
2.16
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2.54

Drug-likeness / Medicinal Chemistry

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

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