6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde

C20H12N2O4 — CID 163953855

IUPAC6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde
SMILESO=Cc1c(O)cnc2ccc(Oc3ccc4ncccc4c3C=O)cc12
InChIInChI=1S/C20H12N2O4/c23-10-15-14-8-12(3-4-18(14)22-9-19(15)25)26-20-6-5-17-13(16(20)11-24)2-1-7-21-17/h1-11,25H
InChIKeySBQUHSLOIJSWLD-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.91
Rot. Bonds4

About 6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde

6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde (PubChem CID 163953855) has the molecular formula C20H12N2O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is 6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde.

Molecular Properties

Compound Name6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde
PubChem CID163953855
Molecular FormulaC20H12N2O4
Molecular Weight344.33 g/mol
Exact Mass344.08
IUPAC Name6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde
SMILESO=Cc1c(O)cnc2ccc(Oc3ccc4ncccc4c3C=O)cc12
InChIInChI=1S/C20H12N2O4/c23-10-15-14-8-12(3-4-18(14)22-9-19(15)25)26-20-6-5-17-13(16(20)11-24)2-1-7-21-17/h1-11,25H
InChIKeySBQUHSLOIJSWLD-UHFFFAOYSA-N
XLogP3.91
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde?
The IUPAC name of 6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde (CID 163953855) is 6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde.
What is the SMILES notation for 6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde?
The canonical SMILES for 6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde is O=Cc1c(O)cnc2ccc(Oc3ccc4ncccc4c3C=O)cc12.
What is the InChIKey of 6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde?
The InChIKey is SBQUHSLOIJSWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O4/c23-10-15-14-8-12(3-4-18(14)22-9-19(15)25)26-20-6-5-17-13(16(20)11-24)2-1-7-21-17/h1-11,25H.
What are the key properties of 6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde?
6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde has a molecular weight of 344.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-formylquinolin-6-yl)oxy-3-hydroxyquinoline-4-carbaldehyde is sourced from PubChem (CID 163953855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).