3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one

C27H27N5O2S — CID 24679661

IUPAC3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one
SMILESCCc1ccc(-n2c(SCC(=O)N3CCN(c4ccccn4)CC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H27N5O2S/c1-2-20-10-12-21(13-11-20)32-26(34)22-7-3-4-8-23(22)29-27(32)35-19-25(33)31-17-15-30(16-18-31)24-9-5-6-14-28-24/h3-14H,2,15-19H2,1H3
InChIKeyFSPCTXBMIPFRNB-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.78
Rot. Bonds6

About 3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one

3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one (PubChem CID 24679661) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one
PubChem CID24679661
Molecular FormulaC27H27N5O2S
Molecular Weight485.61 g/mol
Exact Mass485.19
IUPAC Name3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one
SMILESCCc1ccc(-n2c(SCC(=O)N3CCN(c4ccccn4)CC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H27N5O2S/c1-2-20-10-12-21(13-11-20)32-26(34)22-7-3-4-8-23(22)29-27(32)35-19-25(33)31-17-15-30(16-18-31)24-9-5-6-14-28-24/h3-14H,2,15-19H2,1H3
InChIKeyFSPCTXBMIPFRNB-UHFFFAOYSA-N
XLogP3.78
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one with MolForge

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Related Compounds

3-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2605126
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3-(4-ethylphenyl)quinazolin-4-one
CID 16534195
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 16535425
3-(4-ethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2383778
2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenylquinazolin-4-one
CID 24520954
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2605057
N-(2-chloro-3-pyridinyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4799006
3-(4-methyl-2-pyridinyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 17404456
3-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 5168931
3-(4-nitrophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 8661990
N-(2,6-diethylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16534179
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-propylquinazolin-4-one
CID 2481575

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one (CID 24679661) is 3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one is CCc1ccc(-n2c(SCC(=O)N3CCN(c4ccccn4)CC3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one?
The InChIKey is FSPCTXBMIPFRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c1-2-20-10-12-21(13-11-20)32-26(34)22-7-3-4-8-23(22)29-27(32)35-19-25(33)31-17-15-30(16-18-31)24-9-5-6-14-28-24/h3-14H,2,15-19H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one?
3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one has a molecular weight of 485.61 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 24679661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).