2-(4-ethylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde|2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde|2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimi...

General Information

Structure

Molecular Formula

C₁₅H₁₈N₄O₂

Molecular Mass

286.32902

Exact Mass

286.14297584

Charge

InChI

InChI=1S/C15H18N4O2/c1-2-17-7-9-18(10-8-17)14-12(11-20)15(21)19-6-4-3-5-13(19)16-14/h3-6,11H,2,7-10H2,1H3

InChIKey

GMZLSUYJTQDLMD-UHFFFAOYSA-N

Canonic Smiles

CCN1CCN(CC1)c1nc2ccccn2c(=O)c1C=O

Isomeric Smiles

c1(nc2n(c(=O)c1C=O)cccc2)N1CCN(CC1)CC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3315164

LogD (pH = 7.4)

0.22278939

Log P

0.48504964

Molar Refractivity

91.882

Polarizability

30.130068

Polar Surface Area

56.22

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-(4-ethylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

IUPAC name

2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

Synonyms

2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

Names and Identifiers

Registration numbers

PubChem SID

162215916

PubChem CID

2772166

Registration numbers

Properties

No Data Available

Click here to submit data

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:121563