4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline

C17H24N4O2S — CID 75434455

IUPAC4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline
SMILESCc1nc(CN2CCN(CCS(C)(=O)=O)CC2)nc2ccccc12
InChIInChI=1S/C17H24N4O2S/c1-14-15-5-3-4-6-16(15)19-17(18-14)13-21-9-7-20(8-10-21)11-12-24(2,22)23/h3-6H,7-13H2,1-2H3
InChIKeyAETKWBQPTOQARC-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.10
Rot. Bonds5

About 4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline

4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline (PubChem CID 75434455) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline.

Molecular Properties

Compound Name4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline
PubChem CID75434455
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline
SMILESCc1nc(CN2CCN(CCS(C)(=O)=O)CC2)nc2ccccc12
InChIInChI=1S/C17H24N4O2S/c1-14-15-5-3-4-6-16(15)19-17(18-14)13-21-9-7-20(8-10-21)11-12-24(2,22)23/h3-6H,7-13H2,1-2H3
InChIKeyAETKWBQPTOQARC-UHFFFAOYSA-N
XLogP1.10
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline?
The IUPAC name of 4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline (CID 75434455) is 4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline.
What is the SMILES notation for 4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline?
The canonical SMILES for 4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline is Cc1nc(CN2CCN(CCS(C)(=O)=O)CC2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline?
The InChIKey is AETKWBQPTOQARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-14-15-5-3-4-6-16(15)19-17(18-14)13-21-9-7-20(8-10-21)11-12-24(2,22)23/h3-6H,7-13H2,1-2H3.
What are the key properties of 4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline?
4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline has a molecular weight of 348.47 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline is sourced from PubChem (CID 75434455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).