4-ethenoxy-2-methylquinoline

C12H11NO — CID 3054468

IUPAC4-ethenoxy-2-methylquinoline
SMILESC=COc1cc(C)nc2ccccc12
InChIInChI=1S/C12H11NO/c1-3-14-12-8-9(2)13-11-7-5-4-6-10(11)12/h3-8H,1H2,2H3
InChIKeyTULIIJLKTRPTHY-UHFFFAOYSA-N
MW185.23 g/mol
LogP3.07
Rot. Bonds2

About 4-ethenoxy-2-methylquinoline

4-ethenoxy-2-methylquinoline (PubChem CID 3054468) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-ethenoxy-2-methylquinoline.

Molecular Properties

Compound Name4-ethenoxy-2-methylquinoline
PubChem CID3054468
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4-ethenoxy-2-methylquinoline
SMILESC=COc1cc(C)nc2ccccc12
InChIInChI=1S/C12H11NO/c1-3-14-12-8-9(2)13-11-7-5-4-6-10(11)12/h3-8H,1H2,2H3
InChIKeyTULIIJLKTRPTHY-UHFFFAOYSA-N
XLogP3.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-ethenoxy-2-methylquinoline 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 4-ethenoxy-2-methylquinoline?
The IUPAC name of 4-ethenoxy-2-methylquinoline (CID 3054468) is 4-ethenoxy-2-methylquinoline.
What is the SMILES notation for 4-ethenoxy-2-methylquinoline?
The canonical SMILES for 4-ethenoxy-2-methylquinoline is C=COc1cc(C)nc2ccccc12.
What is the InChIKey of 4-ethenoxy-2-methylquinoline?
The InChIKey is TULIIJLKTRPTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-3-14-12-8-9(2)13-11-7-5-4-6-10(11)12/h3-8H,1H2,2H3.
What are the key properties of 4-ethenoxy-2-methylquinoline?
4-ethenoxy-2-methylquinoline has a molecular weight of 185.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-2-methylquinoline is sourced from PubChem (CID 3054468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).