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CAS 1150164-88-7 Methyl 7-chloro-8-fluoro-4-hydroxyquinoline-2-carboxylate molecular structure lightbox
CAS RN: 1150164-88-7

Methyl 7-chloro-8-fluoro-4-hydroxyquinoline-2-carboxylate

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251222 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1150164-88-7
  • Purity/Analytical Methods: >99.0%
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1150164-88-7 / methyl 7-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate

METHYL 7-CHLORO-8-FLUORO-4-HYDROXYQUINOLINE-2-CARBOXYLATE | methyl 7-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate | MFCD12026032

Standard CAS: 1150164-88-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1150164-88-7
Multi CAS
Yes
Molecular Formula
C11H7ClFNO3
Molecular Weight
255.630000
Exact Mass
255.009849
SMILES
COC(=O)C1=CC(=O)C2=C(N1)C(=C(C=C2)Cl)F
InChI
InChI=1S/C11H7ClFNO3/c1-17-11(16)7-4-8(15)5-2-3-6(12)9(13)10(5)14-7/h2-4H,1H3,(H,14,15)
InChIKey
QNQCGOHVBPQXAH-UHFFFAOYSA-N
Synonyms
METHYL 7-CHLORO-8-FLUORO-4-HYDROXYQUINOLINE-2-CARBOXYLATE methyl 7-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate MFCD12026032 methyl7-chloro-8-fluoro-4-hydroxyquinoline-2-carboxylate 2-Quinolinecarboxylic acid, 7-chloro-8-fluoro-1,4-dihydro-4-oxo-, methyl ester

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.88
TPSA
59.16

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
2.3
Consensus LogP
2.09
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-2.78

Drug-likeness / Medicinal Chemistry

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

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