4-ethoxy-6-(4-fluorophenyl)quinazoline

C16H13FN2O — CID 24958428

IUPAC4-ethoxy-6-(4-fluorophenyl)quinazoline
SMILESCCOc1ncnc2ccc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C16H13FN2O/c1-2-20-16-14-9-12(5-8-15(14)18-10-19-16)11-3-6-13(17)7-4-11/h3-10H,2H2,1H3
InChIKeyXYLWXVOHPZZXCS-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.83
Rot. Bonds3

About 4-ethoxy-6-(4-fluorophenyl)quinazoline

4-ethoxy-6-(4-fluorophenyl)quinazoline (PubChem CID 24958428) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-ethoxy-6-(4-fluorophenyl)quinazoline.

Molecular Properties

Compound Name4-ethoxy-6-(4-fluorophenyl)quinazoline
PubChem CID24958428
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name4-ethoxy-6-(4-fluorophenyl)quinazoline
SMILESCCOc1ncnc2ccc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C16H13FN2O/c1-2-20-16-14-9-12(5-8-15(14)18-10-19-16)11-3-6-13(17)7-4-11/h3-10H,2H2,1H3
InChIKeyXYLWXVOHPZZXCS-UHFFFAOYSA-N
XLogP3.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-fluorophenyl)quinazoline?
The IUPAC name of 4-ethoxy-6-(4-fluorophenyl)quinazoline (CID 24958428) is 4-ethoxy-6-(4-fluorophenyl)quinazoline.
What is the SMILES notation for 4-ethoxy-6-(4-fluorophenyl)quinazoline?
The canonical SMILES for 4-ethoxy-6-(4-fluorophenyl)quinazoline is CCOc1ncnc2ccc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 4-ethoxy-6-(4-fluorophenyl)quinazoline?
The InChIKey is XYLWXVOHPZZXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-2-20-16-14-9-12(5-8-15(14)18-10-19-16)11-3-6-13(17)7-4-11/h3-10H,2H2,1H3.
What are the key properties of 4-ethoxy-6-(4-fluorophenyl)quinazoline?
4-ethoxy-6-(4-fluorophenyl)quinazoline has a molecular weight of 268.29 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-fluorophenyl)quinazoline is sourced from PubChem (CID 24958428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).