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CAS 849798-00-1 N-Benzyl-N-(2-quinolinylmethyl)formamide molecular structure lightbox
CAS RN: 849798-00-1

N-Benzyl-N-(2-quinolinylmethyl)formamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251112 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS849798-00-1
  • Purity/Analytical Methods: >99.0%
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849798-00-1 / N-benzyl-N-(quinolin-2-ylmethyl)formamide

Standard CAS: 849798-00-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
849798-00-1
Multi CAS
No
Molecular Formula
C18H16N2O
Molecular Weight
276.300000
Exact Mass
276.126263
InChI
InChI=1S/C18H16N2O/c21-14-20(12-15-6-2-1-3-7-15)13-17-11-10-16-8-4-5-9-18(16)19-17/h1-11,14H,12-13H2
InChIKey
UCIKFROUISXGMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
83.5
TPSA
33.2

LogP / Solubility

WLOGP
3.39
MLOGP
3
XLogP3
3
Consensus LogP
3.13
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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