4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline

C20H21FN2O — CID 11347876

IUPAC4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline
SMILESCC(C)(C)c1ccc(CCOc2nc([18F])nc3ccccc23)cc1
InChIInChI=1S/C20H21FN2O/c1-20(2,3)15-10-8-14(9-11-15)12-13-24-18-16-6-4-5-7-17(16)22-19(21)23-18/h4-11H,12-13H2,1-3H3/i21-1
InChIKeyLZELEBZODWKDJN-GJQNQZCXSA-N
MW323.40 g/mol
LogP4.69
Rot. Bonds4

About 4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline

4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline (PubChem CID 11347876) has the molecular formula C20H21FN2O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline
PubChem CID11347876
Molecular FormulaC20H21FN2O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline
SMILESCC(C)(C)c1ccc(CCOc2nc([18F])nc3ccccc23)cc1
InChIInChI=1S/C20H21FN2O/c1-20(2,3)15-10-8-14(9-11-15)12-13-24-18-16-6-4-5-7-17(16)22-19(21)23-18/h4-11H,12-13H2,1-3H3/i21-1
InChIKeyLZELEBZODWKDJN-GJQNQZCXSA-N
XLogP4.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fenazaquin
CID 86356
5-(2-Fluorobenzyloxy)quinazoline-2,4-diamine
CID 24778025
7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
1-(4-Methoxy-6-methylquinazolin-2-yl)guanidine
CID 600062
4-Methoxyquinazoline
CID 27831
4-Methoxy-2-(4-propoxyphenyl)quinazoline
CID 1612038
(7-Ethoxy-4-methylquinazolin-2-yl)(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)amine
CID 658668
5-[(4-Methylbenzyl)oxy]quinazoline-2,4-diamine
CID 2824489
2-(4-Ethoxy-8-methylquinazolin-2-yl)guanidine
CID 2869867
CID 2952997
CID 2952997
2-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10406635
4-(2-(4-(4-[18F]Fluoro-butyl)-phenyl)ethoxy) quinazoline
CID 11151464

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline?
The IUPAC name of 4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline (CID 11347876) is 4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline is CC(C)(C)c1ccc(CCOc2nc([18F])nc3ccccc23)cc1.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline?
The InChIKey is LZELEBZODWKDJN-GJQNQZCXSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-20(2,3)15-10-8-14(9-11-15)12-13-24-18-16-6-4-5-7-17(16)22-19(21)23-18/h4-11H,12-13H2,1-3H3/i21-1.
What are the key properties of 4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline?
4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline has a molecular weight of 323.40 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline is sourced from PubChem (CID 11347876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).