4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde

C14H15N3O2 — CID 87579229

IUPAC4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde
SMILESO=Cn1c(N2CCNCC2)cc(=O)c2ccccc21
InChIInChI=1S/C14H15N3O2/c18-10-17-12-4-2-1-3-11(12)13(19)9-14(17)16-7-5-15-6-8-16/h1-4,9-10,15H,5-8H2
InChIKeyNNGYGRPKBVGFFR-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.45
Rot. Bonds2

About 4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde

4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde (PubChem CID 87579229) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde.

Molecular Properties

Compound Name4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde
PubChem CID87579229
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde
SMILESO=Cn1c(N2CCNCC2)cc(=O)c2ccccc21
InChIInChI=1S/C14H15N3O2/c18-10-17-12-4-2-1-3-11(12)13(19)9-14(17)16-7-5-15-6-8-16/h1-4,9-10,15H,5-8H2
InChIKeyNNGYGRPKBVGFFR-UHFFFAOYSA-N
XLogP0.45
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-piperazin-1-yl-2H-isoquinolin-1-one
CID 54939199
1-(4-chlorophenyl)-2-piperazin-1-ylindole
CID 67372498
8-phenyl-2-piperazin-1-ylchromen-4-one
CID 3971
9-(3-piperazin-1-ylprop-2-enyl)carbazole
CID 173037585
1-(4-methoxyphenyl)-2-piperazin-1-ylindole
CID 67370732
1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 82397497
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1,2,3,4-tetrahydrocarbazole-9-carbaldehyde
CID 12710330
3-piperazin-1-ylchromen-4-one
CID 142793533
1-(1-benzothiophen-3-yl)piperazine;hydrochloride
CID 57425075
2-chloro-1-thiophen-3-ylindole-3-carbaldehyde;2-piperazin-1-yl-1-thiophen-3-ylindole-3-carbaldehyde
CID 87892459
1-methyl-5-piperazin-1-ylquinolin-2-one
CID 82279962

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde?
The IUPAC name of 4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde (CID 87579229) is 4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde.
What is the SMILES notation for 4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde?
The canonical SMILES for 4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde is O=Cn1c(N2CCNCC2)cc(=O)c2ccccc21.
What is the InChIKey of 4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde?
The InChIKey is NNGYGRPKBVGFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-10-17-12-4-2-1-3-11(12)13(19)9-14(17)16-7-5-15-6-8-16/h1-4,9-10,15H,5-8H2.
What are the key properties of 4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde?
4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde is sourced from PubChem (CID 87579229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).