2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone

C18H22N4O2 — CID 126894160

IUPAC2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1CCCO1)N1CCN(c2ccc3ncncc3c2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(11-16-2-1-9-24-16)22-7-5-21(6-8-22)15-3-4-17-14(10-15)12-19-13-20-17/h3-4,10,12-13,16H,1-2,5-9,11H2
InChIKeyNIYLUNOEJPCAOP-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.85
Rot. Bonds3

About 2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone

2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone (PubChem CID 126894160) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
PubChem CID126894160
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1CCCO1)N1CCN(c2ccc3ncncc3c2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(11-16-2-1-9-24-16)22-7-5-21(6-8-22)15-3-4-17-14(10-15)12-19-13-20-17/h3-4,10,12-13,16H,1-2,5-9,11H2
InChIKeyNIYLUNOEJPCAOP-UHFFFAOYSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159
1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 126895625
3-(cyclopropylmethyl)-7-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126897666
1-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 170221716
6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
CID 126894285
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95291866
2-[(2R)-oxan-2-yl]-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]ethanone
CID 129474593
N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide
CID 126894221
N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide
CID 126896023
6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894515
(4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 126894181
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 126894405

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone (CID 126894160) is 2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone is O=C(CC1CCCO1)N1CCN(c2ccc3ncncc3c2)CC1.
What is the InChIKey of 2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone?
The InChIKey is NIYLUNOEJPCAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(11-16-2-1-9-24-16)22-7-5-21(6-8-22)15-3-4-17-14(10-15)12-19-13-20-17/h3-4,10,12-13,16H,1-2,5-9,11H2.
What are the key properties of 2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone?
2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone has a molecular weight of 326.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 126894160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).