6-(4-fluorophenyl)-4-propoxyquinazoline

C17H15FN2O — CID 24958785

IUPAC6-(4-fluorophenyl)-4-propoxyquinazoline
SMILESCCCOc1ncnc2ccc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C17H15FN2O/c1-2-9-21-17-15-10-13(5-8-16(15)19-11-20-17)12-3-6-14(18)7-4-12/h3-8,10-11H,2,9H2,1H3
InChIKeyBZJZYAOHUVNVCG-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.22
Rot. Bonds4

About 6-(4-fluorophenyl)-4-propoxyquinazoline

6-(4-fluorophenyl)-4-propoxyquinazoline (PubChem CID 24958785) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-propoxyquinazoline.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-propoxyquinazoline
PubChem CID24958785
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name6-(4-fluorophenyl)-4-propoxyquinazoline
SMILESCCCOc1ncnc2ccc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C17H15FN2O/c1-2-9-21-17-15-10-13(5-8-16(15)19-11-20-17)12-3-6-14(18)7-4-12/h3-8,10-11H,2,9H2,1H3
InChIKeyBZJZYAOHUVNVCG-UHFFFAOYSA-N
XLogP4.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-propoxyquinazoline?
The IUPAC name of 6-(4-fluorophenyl)-4-propoxyquinazoline (CID 24958785) is 6-(4-fluorophenyl)-4-propoxyquinazoline.
What is the SMILES notation for 6-(4-fluorophenyl)-4-propoxyquinazoline?
The canonical SMILES for 6-(4-fluorophenyl)-4-propoxyquinazoline is CCCOc1ncnc2ccc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 6-(4-fluorophenyl)-4-propoxyquinazoline?
The InChIKey is BZJZYAOHUVNVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-2-9-21-17-15-10-13(5-8-16(15)19-11-20-17)12-3-6-14(18)7-4-12/h3-8,10-11H,2,9H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-4-propoxyquinazoline?
6-(4-fluorophenyl)-4-propoxyquinazoline has a molecular weight of 282.32 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-propoxyquinazoline is sourced from PubChem (CID 24958785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).