2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one

C28H28N4O2S — CID 24520954

IUPAC2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one
SMILESCC(c1ccccc1)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C28H28N4O2S/c1-21(22-10-4-2-5-11-22)30-16-18-31(19-17-30)26(33)20-35-28-29-25-15-9-8-14-24(25)27(34)32(28)23-12-6-3-7-13-23/h2-15,21H,16-20H2,1H3
InChIKeyWIYLMCSHLFWCSD-UHFFFAOYSA-N
MW484.63 g/mol
LogP4.38
Rot. Bonds6

About 2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one

2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one (PubChem CID 24520954) has the molecular formula C28H28N4O2S and a molecular weight of 484.63 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one
PubChem CID24520954
Molecular FormulaC28H28N4O2S
Molecular Weight484.63 g/mol
Exact Mass484.19
IUPAC Name2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one
SMILESCC(c1ccccc1)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C28H28N4O2S/c1-21(22-10-4-2-5-11-22)30-16-18-31(19-17-30)26(33)20-35-28-29-25-15-9-8-14-24(25)27(34)32(28)23-12-6-3-7-13-23/h2-15,21H,16-20H2,1H3
InChIKeyWIYLMCSHLFWCSD-UHFFFAOYSA-N
XLogP4.38
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 16535425
2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 3936870
3-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2605126
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-(1-phenylethyl)quinazolin-4-one
CID 16543652
3-(4-ethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2383778
3-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 5168931
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-(3-chlorophenyl)quinazolin-4-one
CID 3532320
3-(4-nitrophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 8661990
2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2632456
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 24679661
3-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2588505

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one?
The IUPAC name of 2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one (CID 24520954) is 2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one is CC(c1ccccc1)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)CC1.
What is the InChIKey of 2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one?
The InChIKey is WIYLMCSHLFWCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2S/c1-21(22-10-4-2-5-11-22)30-16-18-31(19-17-30)26(33)20-35-28-29-25-15-9-8-14-24(25)27(34)32(28)23-12-6-3-7-13-23/h2-15,21H,16-20H2,1H3.
What are the key properties of 2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one?
2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one has a molecular weight of 484.63 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 24520954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).