1-(3-methoxyquinolin-5-yl)ethanone

C12H11NO2 — CID 67065394

IUPAC1-(3-methoxyquinolin-5-yl)ethanone
SMILESCOc1cnc2cccc(C(C)=O)c2c1
InChIInChI=1S/C12H11NO2/c1-8(14)10-4-3-5-12-11(10)6-9(15-2)7-13-12/h3-7H,1-2H3
InChIKeyLDWMFDWXXFJSTA-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.45
Rot. Bonds2

About 1-(3-methoxyquinolin-5-yl)ethanone

1-(3-methoxyquinolin-5-yl)ethanone (PubChem CID 67065394) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(3-methoxyquinolin-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxyquinolin-5-yl)ethanone
PubChem CID67065394
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-(3-methoxyquinolin-5-yl)ethanone
SMILESCOc1cnc2cccc(C(C)=O)c2c1
InChIInChI=1S/C12H11NO2/c1-8(14)10-4-3-5-12-11(10)6-9(15-2)7-13-12/h3-7H,1-2H3
InChIKeyLDWMFDWXXFJSTA-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyquinolin-5-yl)ethanone?
The IUPAC name of 1-(3-methoxyquinolin-5-yl)ethanone (CID 67065394) is 1-(3-methoxyquinolin-5-yl)ethanone.
What is the SMILES notation for 1-(3-methoxyquinolin-5-yl)ethanone?
The canonical SMILES for 1-(3-methoxyquinolin-5-yl)ethanone is COc1cnc2cccc(C(C)=O)c2c1.
What is the InChIKey of 1-(3-methoxyquinolin-5-yl)ethanone?
The InChIKey is LDWMFDWXXFJSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(14)10-4-3-5-12-11(10)6-9(15-2)7-13-12/h3-7H,1-2H3.
What are the key properties of 1-(3-methoxyquinolin-5-yl)ethanone?
1-(3-methoxyquinolin-5-yl)ethanone has a molecular weight of 201.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyquinolin-5-yl)ethanone is sourced from PubChem (CID 67065394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).