5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde

C17H13ClN2O3 — CID 71622180

IUPAC5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cc3ccccc3nc2Cl)cn1
InChIInChI=1S/C17H13ClN2O3/c1-22-16-7-12(9-21)15(8-19-16)23-10-13-6-11-4-2-3-5-14(11)20-17(13)18/h2-9H,10H2,1H3
InChIKeyQWIXOMYGRZKIHB-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.68
Rot. Bonds5

About 5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde

5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde (PubChem CID 71622180) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde
PubChem CID71622180
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cc3ccccc3nc2Cl)cn1
InChIInChI=1S/C17H13ClN2O3/c1-22-16-7-12(9-21)15(8-19-16)23-10-13-6-11-4-2-3-5-14(11)20-17(13)18/h2-9H,10H2,1H3
InChIKeyQWIXOMYGRZKIHB-UHFFFAOYSA-N
XLogP3.68
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde?
The IUPAC name of 5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde (CID 71622180) is 5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde.
What is the SMILES notation for 5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde?
The canonical SMILES for 5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde is COc1cc(C=O)c(OCc2cc3ccccc3nc2Cl)cn1.
What is the InChIKey of 5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde?
The InChIKey is QWIXOMYGRZKIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-22-16-7-12(9-21)15(8-19-16)23-10-13-6-11-4-2-3-5-14(11)20-17(13)18/h2-9H,10H2,1H3.
What are the key properties of 5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde?
5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde has a molecular weight of 328.76 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloroquinolin-3-yl)methoxy]-2-methoxypyridine-4-carbaldehyde is sourced from PubChem (CID 71622180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).