2,4,6-trimethoxyquinoline-3-carbaldehyde

C13H13NO4 — CID 3441994

IUPAC2,4,6-trimethoxyquinoline-3-carbaldehyde
SMILESCOc1ccc2nc(OC)c(C=O)c(OC)c2c1
InChIInChI=1S/C13H13NO4/c1-16-8-4-5-11-9(6-8)12(17-2)10(7-15)13(14-11)18-3/h4-7H,1-3H3
InChIKeyAKMLOGOOJOJNLA-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.07
Rot. Bonds4

About 2,4,6-trimethoxyquinoline-3-carbaldehyde

2,4,6-trimethoxyquinoline-3-carbaldehyde (PubChem CID 3441994) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2,4,6-trimethoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2,4,6-trimethoxyquinoline-3-carbaldehyde
PubChem CID3441994
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2,4,6-trimethoxyquinoline-3-carbaldehyde
SMILESCOc1ccc2nc(OC)c(C=O)c(OC)c2c1
InChIInChI=1S/C13H13NO4/c1-16-8-4-5-11-9(6-8)12(17-2)10(7-15)13(14-11)18-3/h4-7H,1-3H3
InChIKeyAKMLOGOOJOJNLA-UHFFFAOYSA-N
XLogP2.07
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.07
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 2,4,6-trimethoxyquinoline-3-carbaldehyde?
The IUPAC name of 2,4,6-trimethoxyquinoline-3-carbaldehyde (CID 3441994) is 2,4,6-trimethoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 2,4,6-trimethoxyquinoline-3-carbaldehyde?
The canonical SMILES for 2,4,6-trimethoxyquinoline-3-carbaldehyde is COc1ccc2nc(OC)c(C=O)c(OC)c2c1.
What is the InChIKey of 2,4,6-trimethoxyquinoline-3-carbaldehyde?
The InChIKey is AKMLOGOOJOJNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-16-8-4-5-11-9(6-8)12(17-2)10(7-15)13(14-11)18-3/h4-7H,1-3H3.
What are the key properties of 2,4,6-trimethoxyquinoline-3-carbaldehyde?
2,4,6-trimethoxyquinoline-3-carbaldehyde has a molecular weight of 247.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 3441994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).