4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline

C21H24N4OS — CID 133335933

IUPAC4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
SMILESc1ccc2c(N3CCN(CC4CCOC4)CC3)nc(-c3ccsc3)nc2c1
InChIInChI=1S/C21H24N4OS/c1-2-4-19-18(3-1)21(23-20(22-19)17-6-12-27-15-17)25-9-7-24(8-10-25)13-16-5-11-26-14-16/h1-4,6,12,15-16H,5,7-11,13-14H2
InChIKeyVGFXRAGKMATWIO-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.52
Rot. Bonds4

About 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline

4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline (PubChem CID 133335933) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline.

Molecular Properties

Compound Name4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
PubChem CID133335933
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
SMILESc1ccc2c(N3CCN(CC4CCOC4)CC3)nc(-c3ccsc3)nc2c1
InChIInChI=1S/C21H24N4OS/c1-2-4-19-18(3-1)21(23-20(22-19)17-6-12-27-15-17)25-9-7-24(8-10-25)13-16-5-11-26-14-16/h1-4,6,12,15-16H,5,7-11,13-14H2
InChIKeyVGFXRAGKMATWIO-UHFFFAOYSA-N
XLogP3.52
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline
CID 55377922
1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine
CID 97329750
4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133458583
azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone
CID 24508180
9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479287
4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline
CID 133280022
2-thiophen-2-yl-4-(2-thiophen-3-ylquinazolin-4-yl)morpholine
CID 133363520
1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea
CID 60570235
2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine
CID 124754745
4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
CID 1191881
2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476729
1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 124842283

Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline?
The IUPAC name of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline (CID 133335933) is 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline.
What is the SMILES notation for 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline?
The canonical SMILES for 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline is c1ccc2c(N3CCN(CC4CCOC4)CC3)nc(-c3ccsc3)nc2c1.
What is the InChIKey of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline?
The InChIKey is VGFXRAGKMATWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-2-4-19-18(3-1)21(23-20(22-19)17-6-12-27-15-17)25-9-7-24(8-10-25)13-16-5-11-26-14-16/h1-4,6,12,15-16H,5,7-11,13-14H2.
What are the key properties of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline?
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline has a molecular weight of 380.52 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline is sourced from PubChem (CID 133335933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).