4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde

C25H22N4O — CID 73345797

IUPAC4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H22N4O/c30-18-19-8-10-20(11-9-19)28-13-15-29(16-14-28)25-17-24(23-7-3-4-12-26-23)27-22-6-2-1-5-21(22)25/h1-12,17-18H,13-16H2
InChIKeyQGWSVGFYCOWDJT-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.44
Rot. Bonds4

About 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde

4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde (PubChem CID 73345797) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde
PubChem CID73345797
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H22N4O/c30-18-19-8-10-20(11-9-19)28-13-15-29(16-14-28)25-17-24(23-7-3-4-12-26-23)27-22-6-2-1-5-21(22)25/h1-12,17-18H,13-16H2
InChIKeyQGWSVGFYCOWDJT-UHFFFAOYSA-N
XLogP4.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde?
The IUPAC name of 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde (CID 73345797) is 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde.
What is the SMILES notation for 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde?
The canonical SMILES for 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde is O=Cc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde?
The InChIKey is QGWSVGFYCOWDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c30-18-19-8-10-20(11-9-19)28-13-15-29(16-14-28)25-17-24(23-7-3-4-12-26-23)27-22-6-2-1-5-21(22)25/h1-12,17-18H,13-16H2.
What are the key properties of 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde?
4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde has a molecular weight of 394.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde is sourced from PubChem (CID 73345797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).