2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline

C22H17FN2O2 — CID 56960212

IUPAC2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline
SMILESCCOc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H17FN2O2/c1-2-26-22-24-20-6-4-3-5-19(20)21(25-22)15-7-11-17(12-8-15)27-18-13-9-16(23)10-14-18/h3-14H,2H2,1H3
InChIKeyWCVXTZMYGRHSEP-UHFFFAOYSA-N
MW360.39 g/mol
LogP5.63
Rot. Bonds5

About 2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline

2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline (PubChem CID 56960212) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline.

Molecular Properties

Compound Name2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline
PubChem CID56960212
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline
SMILESCCOc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H17FN2O2/c1-2-26-22-24-20-6-4-3-5-19(20)21(25-22)15-7-11-17(12-8-15)27-18-13-9-16(23)10-14-18/h3-14H,2H2,1H3
InChIKeyWCVXTZMYGRHSEP-UHFFFAOYSA-N
XLogP5.63
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline?
The IUPAC name of 2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline (CID 56960212) is 2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline.
What is the SMILES notation for 2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline?
The canonical SMILES for 2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline is CCOc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1.
What is the InChIKey of 2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline?
The InChIKey is WCVXTZMYGRHSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c1-2-26-22-24-20-6-4-3-5-19(20)21(25-22)15-7-11-17(12-8-15)27-18-13-9-16(23)10-14-18/h3-14H,2H2,1H3.
What are the key properties of 2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline?
2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline has a molecular weight of 360.39 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline is sourced from PubChem (CID 56960212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).