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

C17H15FN2O — CID 53362021

IUPAC4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline
SMILESNc1ccc(-c2ccc3cc(OCC[18F])ccc3n2)cc1
InChIInChI=1S/C17H15FN2O/c18-9-10-21-15-6-8-17-13(11-15)3-7-16(20-17)12-1-4-14(19)5-2-12/h1-8,11H,9-10,19H2/i18-1
InChIKeyZGJOXECWZKCGBV-SQZVAGKESA-N
MW281.32 g/mol
LogP3.83
Rot. Bonds4

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

4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline (PubChem CID 53362021) has the molecular formula C17H15FN2O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline.

Molecular Properties

Compound Name4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline
PubChem CID53362021
Molecular FormulaC17H15FN2O
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline
SMILESNc1ccc(-c2ccc3cc(OCC[18F])ccc3n2)cc1
InChIInChI=1S/C17H15FN2O/c18-9-10-21-15-6-8-17-13(11-15)3-7-16(20-17)12-1-4-14(19)5-2-12/h1-8,11H,9-10,19H2/i18-1
InChIKeyZGJOXECWZKCGBV-SQZVAGKESA-N
XLogP3.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline?
The IUPAC name of 4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline (CID 53362021) is 4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline.
What is the SMILES notation for 4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline?
The canonical SMILES for 4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline is Nc1ccc(-c2ccc3cc(OCC[18F])ccc3n2)cc1.
What is the InChIKey of 4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline?
The InChIKey is ZGJOXECWZKCGBV-SQZVAGKESA-N. The full InChI is InChI=1S/C17H15FN2O/c18-9-10-21-15-6-8-17-13(11-15)3-7-16(20-17)12-1-4-14(19)5-2-12/h1-8,11H,9-10,19H2/i18-1.
What are the key properties of 4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline?
4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline has a molecular weight of 281.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-(18F)fluoroethoxy)quinolin-2-yl](18F)aniline is sourced from PubChem (CID 53362021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).