acetic acid;2-piperazin-1-yl-3H-quinazolin-4-one

C14H18N4O3 — CID 135449338

IUPACacetic acid;2-piperazin-1-yl-3H-quinazolin-4-one
SMILESCC(=O)O.O=c1[nH]c(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C12H14N4O.C2H4O2/c17-11-9-3-1-2-4-10(9)14-12(15-11)16-7-5-13-6-8-16;1-2(3)4/h1-4,13H,5-8H2,(H,14,15,17);1H3,(H,3,4)
InChIKeyNGEOOZRNZHUVFZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.42
Rot. Bonds1

About acetic acid;2-piperazin-1-yl-3H-quinazolin-4-one

acetic acid;2-piperazin-1-yl-3H-quinazolin-4-one (PubChem CID 135449338) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is acetic acid;2-piperazin-1-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Nameacetic acid;2-piperazin-1-yl-3H-quinazolin-4-one
PubChem CID135449338
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Nameacetic acid;2-piperazin-1-yl-3H-quinazolin-4-one
SMILESCC(=O)O.O=c1[nH]c(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C12H14N4O.C2H4O2/c17-11-9-3-1-2-4-10(9)14-12(15-11)16-7-5-13-6-8-16;1-2(3)4/h1-4,13H,5-8H2,(H,14,15,17);1H3,(H,3,4)
InChIKeyNGEOOZRNZHUVFZ-UHFFFAOYSA-N
XLogP0.42
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-piperazin-1-yl-3H-quinazolin-4-one?
The IUPAC name of acetic acid;2-piperazin-1-yl-3H-quinazolin-4-one (CID 135449338) is acetic acid;2-piperazin-1-yl-3H-quinazolin-4-one.
What is the SMILES notation for acetic acid;2-piperazin-1-yl-3H-quinazolin-4-one?
The canonical SMILES for acetic acid;2-piperazin-1-yl-3H-quinazolin-4-one is CC(=O)O.O=c1[nH]c(N2CCNCC2)nc2ccccc12.
What is the InChIKey of acetic acid;2-piperazin-1-yl-3H-quinazolin-4-one?
The InChIKey is NGEOOZRNZHUVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.C2H4O2/c17-11-9-3-1-2-4-10(9)14-12(15-11)16-7-5-13-6-8-16;1-2(3)4/h1-4,13H,5-8H2,(H,14,15,17);1H3,(H,3,4).
What are the key properties of acetic acid;2-piperazin-1-yl-3H-quinazolin-4-one?
acetic acid;2-piperazin-1-yl-3H-quinazolin-4-one has a molecular weight of 290.32 g/mol, XLogP of 0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-piperazin-1-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135449338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).