1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone

C13H12FNO2 — CID 82576288

IUPAC1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone
SMILESCOc1cc(C)nc2c(F)cc(C(C)=O)cc12
InChIInChI=1S/C13H12FNO2/c1-7-4-12(17-3)10-5-9(8(2)16)6-11(14)13(10)15-7/h4-6H,1-3H3
InChIKeyUBSWATTZOJVGAY-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.89
Rot. Bonds2

About 1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone

1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone (PubChem CID 82576288) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone.

Molecular Properties

Compound Name1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone
PubChem CID82576288
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone
SMILESCOc1cc(C)nc2c(F)cc(C(C)=O)cc12
InChIInChI=1S/C13H12FNO2/c1-7-4-12(17-3)10-5-9(8(2)16)6-11(14)13(10)15-7/h4-6H,1-3H3
InChIKeyUBSWATTZOJVGAY-UHFFFAOYSA-N
XLogP2.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone?
The IUPAC name of 1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone (CID 82576288) is 1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone.
What is the SMILES notation for 1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone?
The canonical SMILES for 1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone is COc1cc(C)nc2c(F)cc(C(C)=O)cc12.
What is the InChIKey of 1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone?
The InChIKey is UBSWATTZOJVGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-7-4-12(17-3)10-5-9(8(2)16)6-11(14)13(10)15-7/h4-6H,1-3H3.
What are the key properties of 1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone?
1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone has a molecular weight of 233.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone is sourced from PubChem (CID 82576288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).