methyl 2-quinolin-4-ylacetate

C12H11NO2 — CID 3002902

IUPACmethyl 2-quinolin-4-ylacetate
SMILESCOC(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C12H11NO2/c1-15-12(14)8-9-6-7-13-11-5-3-2-4-10(9)11/h2-7H,8H2,1H3
InChIKeyNBBFYNAQGORAGR-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.95
Rot. Bonds2

About methyl 2-quinolin-4-ylacetate

methyl 2-quinolin-4-ylacetate (PubChem CID 3002902) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 2-quinolin-4-ylacetate.

Molecular Properties

Compound Namemethyl 2-quinolin-4-ylacetate
PubChem CID3002902
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namemethyl 2-quinolin-4-ylacetate
SMILESCOC(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C12H11NO2/c1-15-12(14)8-9-6-7-13-11-5-3-2-4-10(9)11/h2-7H,8H2,1H3
InChIKeyNBBFYNAQGORAGR-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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-quinolin-4-ylacetate?
The IUPAC name of methyl 2-quinolin-4-ylacetate (CID 3002902) is methyl 2-quinolin-4-ylacetate.
What is the SMILES notation for methyl 2-quinolin-4-ylacetate?
The canonical SMILES for methyl 2-quinolin-4-ylacetate is COC(=O)Cc1ccnc2ccccc12.
What is the InChIKey of methyl 2-quinolin-4-ylacetate?
The InChIKey is NBBFYNAQGORAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-12(14)8-9-6-7-13-11-5-3-2-4-10(9)11/h2-7H,8H2,1H3.
What are the key properties of methyl 2-quinolin-4-ylacetate?
methyl 2-quinolin-4-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-4-ylacetate is sourced from PubChem (CID 3002902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).