1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone

C17H22N4O2S — CID 10215430

IUPAC1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone
SMILESCSc1ncnc2cc(OCCN3CCN(C(C)=O)CC3)ccc12
InChIInChI=1S/C17H22N4O2S/c1-13(22)21-7-5-20(6-8-21)9-10-23-14-3-4-15-16(11-14)18-12-19-17(15)24-2/h3-4,11-12H,5-10H2,1-2H3
InChIKeySOWFCLVSWZHQSI-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.89
Rot. Bonds5

About 1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone

1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone (PubChem CID 10215430) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone
PubChem CID10215430
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone
SMILESCSc1ncnc2cc(OCCN3CCN(C(C)=O)CC3)ccc12
InChIInChI=1S/C17H22N4O2S/c1-13(22)21-7-5-20(6-8-21)9-10-23-14-3-4-15-16(11-14)18-12-19-17(15)24-2/h3-4,11-12H,5-10H2,1-2H3
InChIKeySOWFCLVSWZHQSI-UHFFFAOYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone (CID 10215430) is 1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone is CSc1ncnc2cc(OCCN3CCN(C(C)=O)CC3)ccc12.
What is the InChIKey of 1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone?
The InChIKey is SOWFCLVSWZHQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-13(22)21-7-5-20(6-8-21)9-10-23-14-3-4-15-16(11-14)18-12-19-17(15)24-2/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone?
1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone has a molecular weight of 346.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 10215430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).