methyl 2-quinolin-2-ylacetate

C12H11NO2 — CID 10608140

IUPACmethyl 2-quinolin-2-ylacetate
SMILESCOC(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C12H11NO2/c1-15-12(14)8-10-7-6-9-4-2-3-5-11(9)13-10/h2-7H,8H2,1H3
InChIKeyWLCSNNDPZBIWPC-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.95
Rot. Bonds2

About methyl 2-quinolin-2-ylacetate

methyl 2-quinolin-2-ylacetate (PubChem CID 10608140) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 2-quinolin-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-quinolin-2-ylacetate
PubChem CID10608140
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namemethyl 2-quinolin-2-ylacetate
SMILESCOC(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C12H11NO2/c1-15-12(14)8-10-7-6-9-4-2-3-5-11(9)13-10/h2-7H,8H2,1H3
InChIKeyWLCSNNDPZBIWPC-UHFFFAOYSA-N
XLogP1.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-quinolin-2-ylacetate 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 methyl 2-quinolin-2-ylacetate?
The IUPAC name of methyl 2-quinolin-2-ylacetate (CID 10608140) is methyl 2-quinolin-2-ylacetate.
What is the SMILES notation for methyl 2-quinolin-2-ylacetate?
The canonical SMILES for methyl 2-quinolin-2-ylacetate is COC(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of methyl 2-quinolin-2-ylacetate?
The InChIKey is WLCSNNDPZBIWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-12(14)8-10-7-6-9-4-2-3-5-11(9)13-10/h2-7H,8H2,1H3.
What are the key properties of methyl 2-quinolin-2-ylacetate?
methyl 2-quinolin-2-ylacetate has a molecular weight of 201.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-quinolin-2-ylacetate is sourced from PubChem (CID 10608140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).