2-(4-methylphenoxy)quinoline-3-carbaldehyde

C17H13NO2 — CID 28951695

IUPAC2-(4-methylphenoxy)quinoline-3-carbaldehyde
SMILESCc1ccc(Oc2nc3ccccc3cc2C=O)cc1
InChIInChI=1S/C17H13NO2/c1-12-6-8-15(9-7-12)20-17-14(11-19)10-13-4-2-3-5-16(13)18-17/h2-11H,1H3
InChIKeyABFCLVKAHOXMTE-UHFFFAOYSA-N
MW263.30 g/mol
LogP4.15
Rot. Bonds3

About 2-(4-methylphenoxy)quinoline-3-carbaldehyde

2-(4-methylphenoxy)quinoline-3-carbaldehyde (PubChem CID 28951695) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(4-methylphenoxy)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methylphenoxy)quinoline-3-carbaldehyde
PubChem CID28951695
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name2-(4-methylphenoxy)quinoline-3-carbaldehyde
SMILESCc1ccc(Oc2nc3ccccc3cc2C=O)cc1
InChIInChI=1S/C17H13NO2/c1-12-6-8-15(9-7-12)20-17-14(11-19)10-13-4-2-3-5-16(13)18-17/h2-11H,1H3
InChIKeyABFCLVKAHOXMTE-UHFFFAOYSA-N
XLogP4.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylphenoxy)quinoline-3-carbaldehyde?
The IUPAC name of 2-(4-methylphenoxy)quinoline-3-carbaldehyde (CID 28951695) is 2-(4-methylphenoxy)quinoline-3-carbaldehyde.
What is the SMILES notation for 2-(4-methylphenoxy)quinoline-3-carbaldehyde?
The canonical SMILES for 2-(4-methylphenoxy)quinoline-3-carbaldehyde is Cc1ccc(Oc2nc3ccccc3cc2C=O)cc1.
What is the InChIKey of 2-(4-methylphenoxy)quinoline-3-carbaldehyde?
The InChIKey is ABFCLVKAHOXMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-12-6-8-15(9-7-12)20-17-14(11-19)10-13-4-2-3-5-16(13)18-17/h2-11H,1H3.
What are the key properties of 2-(4-methylphenoxy)quinoline-3-carbaldehyde?
2-(4-methylphenoxy)quinoline-3-carbaldehyde has a molecular weight of 263.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)quinoline-3-carbaldehyde is sourced from PubChem (CID 28951695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).