1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone

C14H16N4O — CID 594152

IUPAC1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C14H16N4O/c1-11(19)17-6-8-18(9-7-17)14-12-4-2-3-5-13(12)15-10-16-14/h2-5,10H,6-9H2,1H3
InChIKeyIFRJYGYBDLCAKJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.30
Rot. Bonds1

About 1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone

1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone (PubChem CID 594152) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone
PubChem CID594152
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C14H16N4O/c1-11(19)17-6-8-18(9-7-17)14-12-4-2-3-5-13(12)15-10-16-14/h2-5,10H,6-9H2,1H3
InChIKeyIFRJYGYBDLCAKJ-UHFFFAOYSA-N
XLogP1.30
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone (CID 594152) is 1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone is CC(=O)N1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of 1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone?
The InChIKey is IFRJYGYBDLCAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-11(19)17-6-8-18(9-7-17)14-12-4-2-3-5-13(12)15-10-16-14/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone?
1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone has a molecular weight of 256.31 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 594152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).