9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C18H24N4O4 — CID 74250759

IUPAC9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCOCCN1CCN(C(=O)c2cnc3c(O)cccn3c2=O)CC1
InChIInChI=1S/C18H24N4O4/c1-2-11-26-12-10-20-6-8-21(9-7-20)17(24)14-13-19-16-15(23)4-3-5-22(16)18(14)25/h3-5,13,23H,2,6-12H2,1H3
InChIKeyAUTXHUZELHDJJS-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.58
Rot. Bonds6

About 9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 74250759) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID74250759
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCOCCN1CCN(C(=O)c2cnc3c(O)cccn3c2=O)CC1
InChIInChI=1S/C18H24N4O4/c1-2-11-26-12-10-20-6-8-21(9-7-20)17(24)14-13-19-16-15(23)4-3-5-22(16)18(14)25/h3-5,13,23H,2,6-12H2,1H3
InChIKeyAUTXHUZELHDJJS-UHFFFAOYSA-N
XLogP0.58
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 74250759) is 9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CCCOCCN1CCN(C(=O)c2cnc3c(O)cccn3c2=O)CC1.
What is the InChIKey of 9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AUTXHUZELHDJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-2-11-26-12-10-20-6-8-21(9-7-20)17(24)14-13-19-16-15(23)4-3-5-22(16)18(14)25/h3-5,13,23H,2,6-12H2,1H3.
What are the key properties of 9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 360.41 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 74250759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).