2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline

C26H24N4O2S — CID 6211962

IUPAC2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C26H24N4O2S/c31-33(32,20-15-21-9-3-1-4-10-21)30-18-16-29(17-19-30)26-23-13-7-8-14-24(23)27-25(28-26)22-11-5-2-6-12-22/h1-15,20H,16-19H2/b20-15+
InChIKeySJPXWYKAIROBOA-HMMYKYKNSA-N
MW456.57 g/mol
LogP4.42
Rot. Bonds5

About 2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline

2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline (PubChem CID 6211962) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline.

Molecular Properties

Compound Name2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline
PubChem CID6211962
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC Name2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C26H24N4O2S/c31-33(32,20-15-21-9-3-1-4-10-21)30-18-16-29(17-19-30)26-23-13-7-8-14-24(23)27-25(28-26)22-11-5-2-6-12-22/h1-15,20H,16-19H2/b20-15+
InChIKeySJPXWYKAIROBOA-HMMYKYKNSA-N
XLogP4.42
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline 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 2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline?
The IUPAC name of 2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline (CID 6211962) is 2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline.
What is the SMILES notation for 2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline?
The canonical SMILES for 2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline is O=S(=O)(/C=C/c1ccccc1)N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of 2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline?
The InChIKey is SJPXWYKAIROBOA-HMMYKYKNSA-N. The full InChI is InChI=1S/C26H24N4O2S/c31-33(32,20-15-21-9-3-1-4-10-21)30-18-16-29(17-19-30)26-23-13-7-8-14-24(23)27-25(28-26)22-11-5-2-6-12-22/h1-15,20H,16-19H2/b20-15+.
What are the key properties of 2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline?
2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline has a molecular weight of 456.57 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]quinazoline is sourced from PubChem (CID 6211962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).