5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde

C17H14N2O3 — CID 71602700

IUPAC5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2nccc3ccccc23)cn1
InChIInChI=1S/C17H14N2O3/c1-21-17-8-13(10-20)16(9-19-17)22-11-15-14-5-3-2-4-12(14)6-7-18-15/h2-10H,11H2,1H3
InChIKeyMGPGATBOAHNXJS-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.03
Rot. Bonds5

About 5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde

5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde (PubChem CID 71602700) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde
PubChem CID71602700
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2nccc3ccccc23)cn1
InChIInChI=1S/C17H14N2O3/c1-21-17-8-13(10-20)16(9-19-17)22-11-15-14-5-3-2-4-12(14)6-7-18-15/h2-10H,11H2,1H3
InChIKeyMGPGATBOAHNXJS-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde?
The IUPAC name of 5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde (CID 71602700) is 5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde.
What is the SMILES notation for 5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde?
The canonical SMILES for 5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde is COc1cc(C=O)c(OCc2nccc3ccccc23)cn1.
What is the InChIKey of 5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde?
The InChIKey is MGPGATBOAHNXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-21-17-8-13(10-20)16(9-19-17)22-11-15-14-5-3-2-4-12(14)6-7-18-15/h2-10H,11H2,1H3.
What are the key properties of 5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde?
5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-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 5-(isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde is sourced from PubChem (CID 71602700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).