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

C18H15NO2 — CID 54578937

IUPAC6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde
SMILESCc1ccc(Oc2nc3ccc(C)cc3cc2C=O)cc1
InChIInChI=1S/C18H15NO2/c1-12-3-6-16(7-4-12)21-18-15(11-20)10-14-9-13(2)5-8-17(14)19-18/h3-11H,1-2H3
InChIKeyMZDNCPACDDDKRH-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.46
Rot. Bonds3

About 6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde

6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde (PubChem CID 54578937) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde
PubChem CID54578937
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde
SMILESCc1ccc(Oc2nc3ccc(C)cc3cc2C=O)cc1
InChIInChI=1S/C18H15NO2/c1-12-3-6-16(7-4-12)21-18-15(11-20)10-14-9-13(2)5-8-17(14)19-18/h3-11H,1-2H3
InChIKeyMZDNCPACDDDKRH-UHFFFAOYSA-N
XLogP4.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde?
The IUPAC name of 6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde (CID 54578937) is 6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde.
What is the SMILES notation for 6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde?
The canonical SMILES for 6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde is Cc1ccc(Oc2nc3ccc(C)cc3cc2C=O)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde?
The InChIKey is MZDNCPACDDDKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12-3-6-16(7-4-12)21-18-15(11-20)10-14-9-13(2)5-8-17(14)19-18/h3-11H,1-2H3.
What are the key properties of 6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde?
6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde has a molecular weight of 277.32 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde is sourced from PubChem (CID 54578937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).