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CAS 1378483-74-9 5-Methoxyquinoline-7-carbonitrile molecular structure lightbox
CAS RN: 1378483-74-9

5-Methoxyquinoline-7-carbonitrile

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250520 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1378483-74-9
  • Purity/Analytical Methods: >99.0%
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1378483-74-9 / 5-methoxyquinoline-7-carbonitrile

Standard CAS: 1378483-74-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1378483-74-9
Multi CAS
No
Molecular Formula
C11H8N2O
Molecular Weight
184.190000
Exact Mass
184.063663
SMILES
COC1=CC(=CC2=C1C=CC=N2)C#N
InChI
InChI=1S/C11H8N2O/c1-14-11-6-8(7-12)5-10-9(11)3-2-4-13-10/h2-6H,1H3
InChIKey
DKTHOHCVDRWLMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.01
TPSA
45.91

LogP / Solubility

WLOGP
2.12
MLOGP
1.86
XLogP3
1.9
Consensus LogP
1.96
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.34

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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