(4-methyl-2-oxo-1H-quinolin-7-yl) acetate

C12H11NO3 — CID 600284

IUPAC(4-methyl-2-oxo-1H-quinolin-7-yl) acetate
SMILESCC(=O)Oc1ccc2c(C)cc(=O)[nH]c2c1
InChIInChI=1S/C12H11NO3/c1-7-5-12(15)13-11-6-9(16-8(2)14)3-4-10(7)11/h3-6H,1-2H3,(H,13,15)
InChIKeyMJUQZIOCDRSGDY-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.76
Rot. Bonds1

About (4-methyl-2-oxo-1H-quinolin-7-yl) acetate

(4-methyl-2-oxo-1H-quinolin-7-yl) acetate (PubChem CID 600284) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is (4-methyl-2-oxo-1H-quinolin-7-yl) acetate.

Molecular Properties

Compound Name(4-methyl-2-oxo-1H-quinolin-7-yl) acetate
PubChem CID600284
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name(4-methyl-2-oxo-1H-quinolin-7-yl) acetate
SMILESCC(=O)Oc1ccc2c(C)cc(=O)[nH]c2c1
InChIInChI=1S/C12H11NO3/c1-7-5-12(15)13-11-6-9(16-8(2)14)3-4-10(7)11/h3-6H,1-2H3,(H,13,15)
InChIKeyMJUQZIOCDRSGDY-UHFFFAOYSA-N
XLogP1.76
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxo-1H-quinolin-7-yl) acetate?
The IUPAC name of (4-methyl-2-oxo-1H-quinolin-7-yl) acetate (CID 600284) is (4-methyl-2-oxo-1H-quinolin-7-yl) acetate.
What is the SMILES notation for (4-methyl-2-oxo-1H-quinolin-7-yl) acetate?
The canonical SMILES for (4-methyl-2-oxo-1H-quinolin-7-yl) acetate is CC(=O)Oc1ccc2c(C)cc(=O)[nH]c2c1.
What is the InChIKey of (4-methyl-2-oxo-1H-quinolin-7-yl) acetate?
The InChIKey is MJUQZIOCDRSGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-5-12(15)13-11-6-9(16-8(2)14)3-4-10(7)11/h3-6H,1-2H3,(H,13,15).
What are the key properties of (4-methyl-2-oxo-1H-quinolin-7-yl) acetate?
(4-methyl-2-oxo-1H-quinolin-7-yl) acetate has a molecular weight of 217.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxo-1H-quinolin-7-yl) acetate is sourced from PubChem (CID 600284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).