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CAS 417721-15-4 7-Methoxy-4-oxo-1,4-dihydroquinoline-6-carbonitrile molecular structure lightbox
CAS RN: 417721-15-4

7-Methoxy-4-oxo-1,4-dihydroquinoline-6-carbonitrile

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250906 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS417721-15-4
  • Purity/Analytical Methods: >99.0%
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417721-15-4 / 7-methoxy-4-oxo-1H-quinoline-6-carbonitrile

Standard CAS: 417721-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
417721-15-4
Multi CAS
No
Molecular Formula
C11H8N2O2
Molecular Weight
200.190000
Exact Mass
200.058578
InChI
InChI=1S/C11H8N2O2/c1-15-11-5-9-8(4-7(11)6-12)10(14)2-3-13-9/h2-5H,1H3,(H,13,14)
InChIKey
IMBAJWICJYRSBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.84
TPSA
65.88

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
1.2
Consensus LogP
1.28
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-2.94

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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