[2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate

C17H22N4O4 — CID 22375274

IUPAC[2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate
SMILESCC(=O)OCC(O)COc1nc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C17H22N4O4/c1-12(22)24-10-13(23)11-25-16-14-4-2-3-5-15(14)19-17(20-16)21-8-6-18-7-9-21/h2-5,13,18,23H,6-11H2,1H3
InChIKeyUIICWSWSXTTZHM-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.34
Rot. Bonds6

About [2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate

[2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate (PubChem CID 22375274) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is [2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate
PubChem CID22375274
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name[2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate
SMILESCC(=O)OCC(O)COc1nc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C17H22N4O4/c1-12(22)24-10-13(23)11-25-16-14-4-2-3-5-15(14)19-17(20-16)21-8-6-18-7-9-21/h2-5,13,18,23H,6-11H2,1H3
InChIKeyUIICWSWSXTTZHM-UHFFFAOYSA-N
XLogP0.34
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate?
The IUPAC name of [2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate (CID 22375274) is [2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate.
What is the SMILES notation for [2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate?
The canonical SMILES for [2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate is CC(=O)OCC(O)COc1nc(N2CCNCC2)nc2ccccc12.
What is the InChIKey of [2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate?
The InChIKey is UIICWSWSXTTZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-12(22)24-10-13(23)11-25-16-14-4-2-3-5-15(14)19-17(20-16)21-8-6-18-7-9-21/h2-5,13,18,23H,6-11H2,1H3.
What are the key properties of [2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate?
[2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate has a molecular weight of 346.39 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-piperazin-1-ylquinazolin-4-yl)oxypropyl] acetate is sourced from PubChem (CID 22375274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).