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CAS 220143-50-0 7-methylquinoline-2-carbonitrile molecular structure lightbox
CAS RN: 220143-50-0

7-methylquinoline-2-carbonitrile

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS220143-50-0
  • Purity/Analytical Methods: >99.0%
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220143-50-0 / 7-methylquinoline-2-carbonitrile

Standard CAS: 220143-50-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220143-50-0
Multi CAS
No
Molecular Formula
C11H8N2
Molecular Weight
168.190000
Exact Mass
168.068748
SMILES
CC1=CC2=C(C=C1)C=CC(=N2)C#N
InChI
InChI=1S/C11H8N2/c1-8-2-3-9-4-5-10(7-12)13-11(9)6-8/h2-6H,1H3
InChIKey
UNQXTWSOYVNIIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
H-bond acceptors
2
Molar refractivity
51.2
TPSA
36.68

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2
Consensus LogP
2.18
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.03

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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