2-(2-methoxyquinolin-6-yl)-2-methylpropanal

C14H15NO2 — CID 88841117

IUPAC2-(2-methoxyquinolin-6-yl)-2-methylpropanal
SMILESCOc1ccc2cc(C(C)(C)C=O)ccc2n1
InChIInChI=1S/C14H15NO2/c1-14(2,9-16)11-5-6-12-10(8-11)4-7-13(15-12)17-3/h4-9H,1-3H3
InChIKeyRQSXIDOFGOXBFV-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.72
Rot. Bonds3

About 2-(2-methoxyquinolin-6-yl)-2-methylpropanal

2-(2-methoxyquinolin-6-yl)-2-methylpropanal (PubChem CID 88841117) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2-methoxyquinolin-6-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(2-methoxyquinolin-6-yl)-2-methylpropanal
PubChem CID88841117
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(2-methoxyquinolin-6-yl)-2-methylpropanal
SMILESCOc1ccc2cc(C(C)(C)C=O)ccc2n1
InChIInChI=1S/C14H15NO2/c1-14(2,9-16)11-5-6-12-10(8-11)4-7-13(15-12)17-3/h4-9H,1-3H3
InChIKeyRQSXIDOFGOXBFV-UHFFFAOYSA-N
XLogP2.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyquinolin-6-yl)-2-methylpropanal 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 2-(2-methoxyquinolin-6-yl)-2-methylpropanal?
The IUPAC name of 2-(2-methoxyquinolin-6-yl)-2-methylpropanal (CID 88841117) is 2-(2-methoxyquinolin-6-yl)-2-methylpropanal.
What is the SMILES notation for 2-(2-methoxyquinolin-6-yl)-2-methylpropanal?
The canonical SMILES for 2-(2-methoxyquinolin-6-yl)-2-methylpropanal is COc1ccc2cc(C(C)(C)C=O)ccc2n1.
What is the InChIKey of 2-(2-methoxyquinolin-6-yl)-2-methylpropanal?
The InChIKey is RQSXIDOFGOXBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-14(2,9-16)11-5-6-12-10(8-11)4-7-13(15-12)17-3/h4-9H,1-3H3.
What are the key properties of 2-(2-methoxyquinolin-6-yl)-2-methylpropanal?
2-(2-methoxyquinolin-6-yl)-2-methylpropanal has a molecular weight of 229.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyquinolin-6-yl)-2-methylpropanal is sourced from PubChem (CID 88841117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).