[email protected]
CAS 65745-70-2 5-methyl-6-nitroquinoline molecular structure lightbox
CAS RN: 65745-70-2

5-methyl-6-nitroquinoline

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250822 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS65745-70-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

65745-70-2 / 5-methyl-6-nitroquinoline

Standard CAS: 65745-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65745-70-2
Multi CAS
No
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
InChI
InChI=1S/C10H8N2O2/c1-7-8-3-2-6-11-9(8)4-5-10(7)12(13)14/h2-6H,1H3
InChIKey
FLXLJDXYCHLQFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.13
TPSA
56.03

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.4
Consensus LogP
2.34
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us