[email protected]
CAS 2801-32-3 3-METHYL-8-NITROQUINOLINE molecular structure lightbox
CAS RN: 2801-32-3

3-METHYL-8-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.20250906 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2801-32-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2801-32-3 / 3-methyl-8-nitroquinoline

Standard CAS: 2801-32-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2801-32-3
Multi CAS
No
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
SMILES
CC1=CC2=C(C(=CC=C2)[N+](=O)[O-])N=C1
InChI
InChI=1S/C10H8N2O2/c1-7-5-8-3-2-4-9(12(13)14)10(8)11-6-7/h2-6H,1H3
InChIKey
DWHMTTROZUHZMC-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
1.8
Consensus LogP
2.14
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