CAS RN: 121217-60-5
2-amino-N-phenylquinoline-3-carboxamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260526 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS121217-60-5
- Purity/Analytical Methods: >99.0%
121217-60-5 / 2-amino-N-phenylquinoline-3-carboxamide
2-amino-N-phenylquinoline-3-carboxamide | 2-Amino-N-3'-phenyl-3-quinolinecarboxamide | MFCD02625574
Basic Information
CAS
121217-60-5
Multi CAS
No
Molecular Formula
C16H13N3O
Molecular Weight
263.290000
Exact Mass
263.105862
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3N=C2N
InChI
InChI=1S/C16H13N3O/c17-15-13(10-11-6-4-5-9-14(11)19-15)16(20)18-12-7-2-1-3-8-12/h1-10H,(H2,17,19)(H,18,20)
InChIKey
MXEDUCKYLMKGBT-UHFFFAOYSA-N
Synonyms
2-amino-N-phenylquinoline-3-carboxamide
2-Amino-N-3'-phenyl-3-quinolinecarboxamide
MFCD02625574
2-Imino-N-phenyl-1,2-dihydroquinoline-3-carboxamide
(2-amino(3-quinolyl))-N-benzamide
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.55
TPSA
68.01
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
3.2
Consensus LogP
2.99
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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