7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde

C16H18N2O2 — CID 857615

IUPAC7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
SMILESCOc1ccc2cc(C=O)c(N3CCCCC3)nc2c1
InChIInChI=1S/C16H18N2O2/c1-20-14-6-5-12-9-13(11-19)16(17-15(12)10-14)18-7-3-2-4-8-18/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyHCCAXEITHUDTAR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.05
Rot. Bonds3

About 7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde

7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde (PubChem CID 857615) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
PubChem CID857615
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
SMILESCOc1ccc2cc(C=O)c(N3CCCCC3)nc2c1
InChIInChI=1S/C16H18N2O2/c1-20-14-6-5-12-9-13(11-19)16(17-15(12)10-14)18-7-3-2-4-8-18/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyHCCAXEITHUDTAR-UHFFFAOYSA-N
XLogP3.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde?
The IUPAC name of 7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde (CID 857615) is 7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde.
What is the SMILES notation for 7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde?
The canonical SMILES for 7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde is COc1ccc2cc(C=O)c(N3CCCCC3)nc2c1.
What is the InChIKey of 7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde?
The InChIKey is HCCAXEITHUDTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-14-6-5-12-9-13(11-19)16(17-15(12)10-14)18-7-3-2-4-8-18/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde?
7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde has a molecular weight of 270.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde is sourced from PubChem (CID 857615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).