quinolin-3-ylmethyl acetate

C12H11NO2 — CID 101032812

IUPACquinolin-3-ylmethyl acetate
SMILESCC(=O)OCc1cnc2ccccc2c1
InChIInChI=1S/C12H11NO2/c1-9(14)15-8-10-6-11-4-2-3-5-12(11)13-7-10/h2-7H,8H2,1H3
InChIKeyFVWCZTUIQGOMMI-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.30
Rot. Bonds2

About quinolin-3-ylmethyl acetate

quinolin-3-ylmethyl acetate (PubChem CID 101032812) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is quinolin-3-ylmethyl acetate.

Molecular Properties

Compound Namequinolin-3-ylmethyl acetate
PubChem CID101032812
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namequinolin-3-ylmethyl acetate
SMILESCC(=O)OCc1cnc2ccccc2c1
InChIInChI=1S/C12H11NO2/c1-9(14)15-8-10-6-11-4-2-3-5-12(11)13-7-10/h2-7H,8H2,1H3
InChIKeyFVWCZTUIQGOMMI-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of quinolin-3-ylmethyl acetate?
The IUPAC name of quinolin-3-ylmethyl acetate (CID 101032812) is quinolin-3-ylmethyl acetate.
What is the SMILES notation for quinolin-3-ylmethyl acetate?
The canonical SMILES for quinolin-3-ylmethyl acetate is CC(=O)OCc1cnc2ccccc2c1.
What is the InChIKey of quinolin-3-ylmethyl acetate?
The InChIKey is FVWCZTUIQGOMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-9(14)15-8-10-6-11-4-2-3-5-12(11)13-7-10/h2-7H,8H2,1H3.
What are the key properties of quinolin-3-ylmethyl acetate?
quinolin-3-ylmethyl acetate has a molecular weight of 201.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-3-ylmethyl acetate is sourced from PubChem (CID 101032812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).