3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one

C18H20N6O2 — CID 126898623

IUPAC3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one
SMILESO=c1c2ccc(N3CCN(c4ncccn4)CC3)cc2ncn1CCO
InChIInChI=1S/C18H20N6O2/c25-11-10-24-13-21-16-12-14(2-3-15(16)17(24)26)22-6-8-23(9-7-22)18-19-4-1-5-20-18/h1-5,12-13,25H,6-11H2
InChIKeyILDMHHBCENYICJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.51
Rot. Bonds4

About 3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one

3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one (PubChem CID 126898623) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one
PubChem CID126898623
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one
SMILESO=c1c2ccc(N3CCN(c4ncccn4)CC3)cc2ncn1CCO
InChIInChI=1S/C18H20N6O2/c25-11-10-24-13-21-16-12-14(2-3-15(16)17(24)26)22-6-8-23(9-7-22)18-19-4-1-5-20-18/h1-5,12-13,25H,6-11H2
InChIKeyILDMHHBCENYICJ-UHFFFAOYSA-N
XLogP0.51
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-hydroxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126898638
3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one
CID 126898605
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-hydroxyethyl)-7-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898859
3-(2-hydroxyethyl)-7-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898635
3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898874
7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898540
3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898890
3-(2-hydroxyethyl)-7-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898945
3-(2-hydroxyethyl)-7-[4-[2-(2-oxopyrazin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898736
3-(2-hydroxyethyl)-7-[4-[(1-methyl-6-oxopyridazin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898729
3-(2-hydroxyethyl)-7-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126898761

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one (CID 126898623) is 3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one is O=c1c2ccc(N3CCN(c4ncccn4)CC3)cc2ncn1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one?
The InChIKey is ILDMHHBCENYICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-11-10-24-13-21-16-12-14(2-3-15(16)17(24)26)22-6-8-23(9-7-22)18-19-4-1-5-20-18/h1-5,12-13,25H,6-11H2.
What are the key properties of 3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one?
3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one has a molecular weight of 352.40 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one is sourced from PubChem (CID 126898623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).