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CAS 1150618-22-6 4-hydroxyquinoline-7-carboxylic acid molecular structure lightbox
CAS RN: 1150618-22-6

4-hydroxyquinoline-7-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250530 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1150618-22-6
  • Purity/Analytical Methods: >99.0%
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1150618-22-6 / 4-oxo-1H-quinoline-7-carboxylic acid

4-hydroxyquinoline-7-carboxylic acid | 4-Oxo-1,4-dihydroquinoline-7-carboxylic acid | 4-hydroxy-7-Quinolinecarboxylic acid

Standard CAS: 1150618-22-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1150618-22-6
Multi CAS
No
Molecular Formula
C10H7NO3
Molecular Weight
189.170000
Exact Mass
189.042593
SMILES
C1=CC2=C(C=C1C(=O)O)NC=CC2=O
InChI
InChI=1S/C10H7NO3/c12-9-3-4-11-8-5-6(10(13)14)1-2-7(8)9/h1-5H,(H,11,12)(H,13,14)
InChIKey
QNDMXIULYGYMJK-UHFFFAOYSA-N
Synonyms
4-hydroxyquinoline-7-carboxylic acid 4-Oxo-1,4-dihydroquinoline-7-carboxylic acid 4-hydroxy-7-Quinolinecarboxylic acid 4-oxo-1H-quinoline-7-carboxylic acid MFCD12024479

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.53
TPSA
70.16

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
0.1
Consensus LogP
0.8
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

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

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