8-fluoro-2-methoxy-2-methyl-1H-quinoline

C11H12FNO — CID 154699303

IUPAC8-fluoro-2-methoxy-2-methyl-1H-quinoline
SMILESCOC1(C)C=Cc2cccc(F)c2N1
InChIInChI=1S/C11H12FNO/c1-11(14-2)7-6-8-4-3-5-9(12)10(8)13-11/h3-7,13H,1-2H3
InChIKeyGOLOCDBEDYLUBF-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.63
Rot. Bonds1

About 8-fluoro-2-methoxy-2-methyl-1H-quinoline

8-fluoro-2-methoxy-2-methyl-1H-quinoline (PubChem CID 154699303) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 8-fluoro-2-methoxy-2-methyl-1H-quinoline.

Molecular Properties

Compound Name8-fluoro-2-methoxy-2-methyl-1H-quinoline
PubChem CID154699303
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name8-fluoro-2-methoxy-2-methyl-1H-quinoline
SMILESCOC1(C)C=Cc2cccc(F)c2N1
InChIInChI=1S/C11H12FNO/c1-11(14-2)7-6-8-4-3-5-9(12)10(8)13-11/h3-7,13H,1-2H3
InChIKeyGOLOCDBEDYLUBF-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methoxy-2-methyl-1H-quinoline?
The IUPAC name of 8-fluoro-2-methoxy-2-methyl-1H-quinoline (CID 154699303) is 8-fluoro-2-methoxy-2-methyl-1H-quinoline.
What is the SMILES notation for 8-fluoro-2-methoxy-2-methyl-1H-quinoline?
The canonical SMILES for 8-fluoro-2-methoxy-2-methyl-1H-quinoline is COC1(C)C=Cc2cccc(F)c2N1.
What is the InChIKey of 8-fluoro-2-methoxy-2-methyl-1H-quinoline?
The InChIKey is GOLOCDBEDYLUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-11(14-2)7-6-8-4-3-5-9(12)10(8)13-11/h3-7,13H,1-2H3.
What are the key properties of 8-fluoro-2-methoxy-2-methyl-1H-quinoline?
8-fluoro-2-methoxy-2-methyl-1H-quinoline has a molecular weight of 193.22 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methoxy-2-methyl-1H-quinoline is sourced from PubChem (CID 154699303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).