4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline

C27H35FN2O6 — CID 73442994

IUPAC4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline
SMILESNc1ccc(-c2ccc3cc(OCCOCCOCCOCCOCCOCC[18F])ccc3n2)cc1
InChIInChI=1S/C27H35FN2O6/c28-9-10-31-11-12-32-13-14-33-15-16-34-17-18-35-19-20-36-25-6-8-27-23(21-25)3-7-26(30-27)22-1-4-24(29)5-2-22/h1-8,21H,9-20,29H2/i28-1
InChIKeyUUWAKBLZBFGDBW-GLOFJIOZSA-N
MW501.59 g/mol
LogP3.92
Rot. Bonds19

About 4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline

4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline (PubChem CID 73442994) has the molecular formula C27H35FN2O6 and a molecular weight of 501.59 g/mol. Its IUPAC name is 4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline.

Molecular Properties

Compound Name4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline
PubChem CID73442994
Molecular FormulaC27H35FN2O6
Molecular Weight501.59 g/mol
Exact Mass501.25
IUPAC Name4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline
SMILESNc1ccc(-c2ccc3cc(OCCOCCOCCOCCOCCOCC[18F])ccc3n2)cc1
InChIInChI=1S/C27H35FN2O6/c28-9-10-31-11-12-32-13-14-33-15-16-34-17-18-35-19-20-36-25-6-8-27-23(21-25)3-7-26(30-27)22-1-4-24(29)5-2-22/h1-8,21H,9-20,29H2/i28-1
InChIKeyUUWAKBLZBFGDBW-GLOFJIOZSA-N
XLogP3.92
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline?
The IUPAC name of 4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline (CID 73442994) is 4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline.
What is the SMILES notation for 4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline?
The canonical SMILES for 4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline is Nc1ccc(-c2ccc3cc(OCCOCCOCCOCCOCCOCC[18F])ccc3n2)cc1.
What is the InChIKey of 4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline?
The InChIKey is UUWAKBLZBFGDBW-GLOFJIOZSA-N. The full InChI is InChI=1S/C27H35FN2O6/c28-9-10-31-11-12-32-13-14-33-15-16-34-17-18-35-19-20-36-25-6-8-27-23(21-25)3-7-26(30-27)22-1-4-24(29)5-2-22/h1-8,21H,9-20,29H2/i28-1.
What are the key properties of 4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline?
4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline has a molecular weight of 501.59 g/mol, XLogP of 3.92, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline is sourced from PubChem (CID 73442994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).