2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C14H20N4O2 — CID 135611929

IUPAC2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCC(=O)N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C14H20N4O2/c1-10(19)17-6-8-18(9-7-17)14-15-12-5-3-2-4-11(12)13(20)16-14/h2-9H2,1H3,(H,15,16,20)
InChIKeyUJDWLPQTGUGUOH-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.32
Rot. Bonds1

About 2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135611929) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135611929
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCC(=O)N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C14H20N4O2/c1-10(19)17-6-8-18(9-7-17)14-15-12-5-3-2-4-11(12)13(20)16-14/h2-9H2,1H3,(H,15,16,20)
InChIKeyUJDWLPQTGUGUOH-UHFFFAOYSA-N
XLogP0.32
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135611929) is 2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CC(=O)N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is UJDWLPQTGUGUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(19)17-6-8-18(9-7-17)14-15-12-5-3-2-4-11(12)13(20)16-14/h2-9H2,1H3,(H,15,16,20).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 276.34 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135611929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).