4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one

C24H19FN4O2 — CID 56959625

IUPAC4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one
SMILESO=C1CN(c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)c3ccccc3n2)CCN1
InChIInChI=1S/C24H19FN4O2/c25-17-7-11-19(12-8-17)31-18-9-5-16(6-10-18)23-20-3-1-2-4-21(20)27-24(28-23)29-14-13-26-22(30)15-29/h1-12H,13-15H2,(H,26,30)
InChIKeyIEYKYKKPCJLHLZ-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.16
Rot. Bonds4

About 4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one

4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one (PubChem CID 56959625) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one
PubChem CID56959625
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one
SMILESO=C1CN(c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)c3ccccc3n2)CCN1
InChIInChI=1S/C24H19FN4O2/c25-17-7-11-19(12-8-17)31-18-9-5-16(6-10-18)23-20-3-1-2-4-21(20)27-24(28-23)29-14-13-26-22(30)15-29/h1-12H,13-15H2,(H,26,30)
InChIKeyIEYKYKKPCJLHLZ-UHFFFAOYSA-N
XLogP4.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one?
The IUPAC name of 4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one (CID 56959625) is 4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one?
The canonical SMILES for 4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one is O=C1CN(c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)c3ccccc3n2)CCN1.
What is the InChIKey of 4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one?
The InChIKey is IEYKYKKPCJLHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c25-17-7-11-19(12-8-17)31-18-9-5-16(6-10-18)23-20-3-1-2-4-21(20)27-24(28-23)29-14-13-26-22(30)15-29/h1-12H,13-15H2,(H,26,30).
What are the key properties of 4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one?
4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one has a molecular weight of 414.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]piperazin-2-one is sourced from PubChem (CID 56959625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).