[(1R)-1-quinolin-4-ylethyl] acetate

C13H13NO2 — CID 11127646

IUPAC[(1R)-1-quinolin-4-ylethyl] acetate
SMILESCC(=O)O[C@H](C)c1ccnc2ccccc12
InChIInChI=1S/C13H13NO2/c1-9(16-10(2)15)11-7-8-14-13-6-4-3-5-12(11)13/h3-9H,1-2H3/t9-/m1/s1
InChIKeySWVIZJFUWHDBGN-SECBINFHSA-N
MW215.25 g/mol
LogP2.86
Rot. Bonds2

About [(1R)-1-quinolin-4-ylethyl] acetate

[(1R)-1-quinolin-4-ylethyl] acetate (PubChem CID 11127646) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is [(1R)-1-quinolin-4-ylethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-quinolin-4-ylethyl] acetate
PubChem CID11127646
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name[(1R)-1-quinolin-4-ylethyl] acetate
SMILESCC(=O)O[C@H](C)c1ccnc2ccccc12
InChIInChI=1S/C13H13NO2/c1-9(16-10(2)15)11-7-8-14-13-6-4-3-5-12(11)13/h3-9H,1-2H3/t9-/m1/s1
InChIKeySWVIZJFUWHDBGN-SECBINFHSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-quinolin-4-ylethyl] acetate?
The IUPAC name of [(1R)-1-quinolin-4-ylethyl] acetate (CID 11127646) is [(1R)-1-quinolin-4-ylethyl] acetate.
What is the SMILES notation for [(1R)-1-quinolin-4-ylethyl] acetate?
The canonical SMILES for [(1R)-1-quinolin-4-ylethyl] acetate is CC(=O)O[C@H](C)c1ccnc2ccccc12.
What is the InChIKey of [(1R)-1-quinolin-4-ylethyl] acetate?
The InChIKey is SWVIZJFUWHDBGN-SECBINFHSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9(16-10(2)15)11-7-8-14-13-6-4-3-5-12(11)13/h3-9H,1-2H3/t9-/m1/s1.
What are the key properties of [(1R)-1-quinolin-4-ylethyl] acetate?
[(1R)-1-quinolin-4-ylethyl] acetate has a molecular weight of 215.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-quinolin-4-ylethyl] acetate is sourced from PubChem (CID 11127646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).