(2-propan-2-ylquinolin-8-yl) acetate

C14H15NO2 — CID 134285695

IUPAC(2-propan-2-ylquinolin-8-yl) acetate
SMILESCC(=O)Oc1cccc2ccc(C(C)C)nc12
InChIInChI=1S/C14H15NO2/c1-9(2)12-8-7-11-5-4-6-13(14(11)15-12)17-10(3)16/h4-9H,1-3H3
InChIKeyLLVXZRCEEVPKOZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.28
Rot. Bonds2

About (2-propan-2-ylquinolin-8-yl) acetate

(2-propan-2-ylquinolin-8-yl) acetate (PubChem CID 134285695) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2-propan-2-ylquinolin-8-yl) acetate.

Molecular Properties

Compound Name(2-propan-2-ylquinolin-8-yl) acetate
PubChem CID134285695
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(2-propan-2-ylquinolin-8-yl) acetate
SMILESCC(=O)Oc1cccc2ccc(C(C)C)nc12
InChIInChI=1S/C14H15NO2/c1-9(2)12-8-7-11-5-4-6-13(14(11)15-12)17-10(3)16/h4-9H,1-3H3
InChIKeyLLVXZRCEEVPKOZ-UHFFFAOYSA-N
XLogP3.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-ylquinolin-8-ol
CID 4218732
[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate
CID 6475026
(9-acetyloxyphenazin-1-yl) acetate
CID 611384
[2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-yl] acetate
CID 141407531
[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate
CID 3518506
hydron;quinazolin-8-yl acetate
CID 174628972
(6-propan-2-ylnaphthalen-1-yl) acetate
CID 66701669
[2-[(E)-2-(3-acetyloxy-4-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
CID 7135843
[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
CID 7135840
(6-methylphenazin-1-yl) acetate
CID 610919
[2-[(E)-2-(1-methylpyridin-1-ium-3-yl)ethenyl]quinolin-8-yl] acetate iodide
CID 54612106
(2,3-dimethylindazol-7-yl) acetate
CID 176566350

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylquinolin-8-yl) acetate?
The IUPAC name of (2-propan-2-ylquinolin-8-yl) acetate (CID 134285695) is (2-propan-2-ylquinolin-8-yl) acetate.
What is the SMILES notation for (2-propan-2-ylquinolin-8-yl) acetate?
The canonical SMILES for (2-propan-2-ylquinolin-8-yl) acetate is CC(=O)Oc1cccc2ccc(C(C)C)nc12.
What is the InChIKey of (2-propan-2-ylquinolin-8-yl) acetate?
The InChIKey is LLVXZRCEEVPKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9(2)12-8-7-11-5-4-6-13(14(11)15-12)17-10(3)16/h4-9H,1-3H3.
What are the key properties of (2-propan-2-ylquinolin-8-yl) acetate?
(2-propan-2-ylquinolin-8-yl) acetate has a molecular weight of 229.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylquinolin-8-yl) acetate is sourced from PubChem (CID 134285695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).