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

C16H18N2O2 — CID 20983156

IUPAC8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
SMILESCOc1cccc2cc(C=O)c(N3CCCCC3)nc12
InChIInChI=1S/C16H18N2O2/c1-20-14-7-5-6-12-10-13(11-19)16(17-15(12)14)18-8-3-2-4-9-18/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyKMBHOWNVNYJMRS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.05
Rot. Bonds3

About 8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde

8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde (PubChem CID 20983156) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
PubChem CID20983156
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
SMILESCOc1cccc2cc(C=O)c(N3CCCCC3)nc12
InChIInChI=1S/C16H18N2O2/c1-20-14-7-5-6-12-10-13(11-19)16(17-15(12)14)18-8-3-2-4-9-18/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyKMBHOWNVNYJMRS-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 8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde?
The IUPAC name of 8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde (CID 20983156) is 8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde.
What is the SMILES notation for 8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde?
The canonical SMILES for 8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde is COc1cccc2cc(C=O)c(N3CCCCC3)nc12.
What is the InChIKey of 8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde?
The InChIKey is KMBHOWNVNYJMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-14-7-5-6-12-10-13(11-19)16(17-15(12)14)18-8-3-2-4-9-18/h5-7,10-11H,2-4,8-9H2,1H3.
What are the key properties of 8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde?
8-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 8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde is sourced from PubChem (CID 20983156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).