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JTC-801 free base

CAT: 0013-GTR19184330-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184330-01Size:25 mg
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Description
JTC-801 free base
CAS Number
244218-93-7
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
NC=1C2=C (C=CC (NC (=O) C3=C (COC4=CC=C (CC) C=C4) C=CC=C3) =C2) N=C (C) C1
Molecular Formula
C26H25N3O2
Molecular Weight
411.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-amino-2-methylquinolin-6-yl)-2-(4-ethylphenoxymethyl)benzamide

N-(4-amino-2-methyl-6-quinolinyl)-2-[(4-ethylphenoxy)methyl]benzamide is an aminoquinoline.

CAS Number244218-93-7
PubChem CID5311340
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide
Molecular FormulaC26H25N3O2
Molecular Weight411.5
XLogP5
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity577
SMILES
CCC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N
InChI
InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
InChIKey
VTGBZWHPJFMTKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-amino-2-methylquinolin-6-yl)-2-(4-ethylphenoxymethyl)benzamide
CAS: 244218-93-7
CID: 5311340
Formula: C26H25N3O2
MW: 411.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.5
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass411.19467705
Monoisotopic Mass411.19467705
Topological Polar Surface Area77.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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