2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde

C17H14N2O3 — CID 71621290

IUPAC2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2ccc3ccccc3n2)cn1
InChIInChI=1S/C17H14N2O3/c1-21-17-8-13(10-20)16(9-18-17)22-11-14-7-6-12-4-2-3-5-15(12)19-14/h2-10H,11H2,1H3
InChIKeyPOWIGENQVSKYHG-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.03
Rot. Bonds5

About 2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde

2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde (PubChem CID 71621290) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde
PubChem CID71621290
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2ccc3ccccc3n2)cn1
InChIInChI=1S/C17H14N2O3/c1-21-17-8-13(10-20)16(9-18-17)22-11-14-7-6-12-4-2-3-5-15(12)19-14/h2-10H,11H2,1H3
InChIKeyPOWIGENQVSKYHG-UHFFFAOYSA-N
XLogP3.03
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde (CID 71621290) is 2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde is COc1cc(C=O)c(OCc2ccc3ccccc3n2)cn1.
What is the InChIKey of 2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde?
The InChIKey is POWIGENQVSKYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-21-17-8-13(10-20)16(9-18-17)22-11-14-7-6-12-4-2-3-5-15(12)19-14/h2-10H,11H2,1H3.
What are the key properties of 2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde?
2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde has a molecular weight of 294.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 71621290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).