1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone

C18H18N4OS — CID 2469159

IUPAC1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C18H18N4OS/c1-13(23)21-8-10-22(11-9-21)18-14-5-2-3-6-15(14)19-17(20-18)16-7-4-12-24-16/h2-7,12H,8-11H2,1H3
InChIKeyFRHSRBZOZFJKHM-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.03
Rot. Bonds2

About 1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone

1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone (PubChem CID 2469159) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone
PubChem CID2469159
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C18H18N4OS/c1-13(23)21-8-10-22(11-9-21)18-14-5-2-3-6-15(14)19-17(20-18)16-7-4-12-24-16/h2-7,12H,8-11H2,1H3
InChIKeyFRHSRBZOZFJKHM-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 25147772
4-(1-Benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 46846243
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 856987
2-(2-Cyclopropylquinazolin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 1435085
N-Cyclopentyl-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442575
N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
CID 2379159
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
4-(2-Thiophen-2-ylquinazolin-4-yl)morpholine
CID 2570600
CID 3221482
CID 3221482
7-Methyl-2-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-quinoline-3-carbonitrile
CID 24747069
4-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 2520263

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone (CID 2469159) is 1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1.
What is the InChIKey of 1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is FRHSRBZOZFJKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-13(23)21-8-10-22(11-9-21)18-14-5-2-3-6-15(14)19-17(20-18)16-7-4-12-24-16/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone?
1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 338.44 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2469159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).