4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline

C18H18FN3O — CID 71816462

IUPAC4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline
SMILESCN(C)c1ccc(-c2cnc3cc(OCC[18F])ccc3n2)cc1
InChIInChI=1S/C18H18FN3O/c1-22(2)14-5-3-13(4-6-14)18-12-20-17-11-15(23-10-9-19)7-8-16(17)21-18/h3-8,11-12H,9-10H2,1-2H3/i19-1
InChIKeyWFJZSXUUUJRHQB-AWDFDDCISA-N
MW310.36 g/mol
LogP3.71
Rot. Bonds5

About 4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline

4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline (PubChem CID 71816462) has the molecular formula C18H18FN3O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline.

Molecular Properties

Compound Name4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline
PubChem CID71816462
Molecular FormulaC18H18FN3O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline
SMILESCN(C)c1ccc(-c2cnc3cc(OCC[18F])ccc3n2)cc1
InChIInChI=1S/C18H18FN3O/c1-22(2)14-5-3-13(4-6-14)18-12-20-17-11-15(23-10-9-19)7-8-16(17)21-18/h3-8,11-12H,9-10H2,1-2H3/i19-1
InChIKeyWFJZSXUUUJRHQB-AWDFDDCISA-N
XLogP3.71
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline?
The IUPAC name of 4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline (CID 71816462) is 4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline.
What is the SMILES notation for 4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline?
The canonical SMILES for 4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline is CN(C)c1ccc(-c2cnc3cc(OCC[18F])ccc3n2)cc1.
What is the InChIKey of 4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline?
The InChIKey is WFJZSXUUUJRHQB-AWDFDDCISA-N. The full InChI is InChI=1S/C18H18FN3O/c1-22(2)14-5-3-13(4-6-14)18-12-20-17-11-15(23-10-9-19)7-8-16(17)21-18/h3-8,11-12H,9-10H2,1-2H3/i19-1.
What are the key properties of 4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline?
4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline has a molecular weight of 310.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline is sourced from PubChem (CID 71816462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).