8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

C11H15NO2 — CID 12798232

IUPAC8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCOC1CCCc2c1[nH]c(C)cc2=O
InChIInChI=1S/C11H15NO2/c1-7-6-9(13)8-4-3-5-10(14-2)11(8)12-7/h6,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyLYOVQYKPFRJRKB-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.71
Rot. Bonds1

About 8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 12798232) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID12798232
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCOC1CCCc2c1[nH]c(C)cc2=O
InChIInChI=1S/C11H15NO2/c1-7-6-9(13)8-4-3-5-10(14-2)11(8)12-7/h6,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyLYOVQYKPFRJRKB-UHFFFAOYSA-N
XLogP1.71
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 12798232) is 8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is COC1CCCc2c1[nH]c(C)cc2=O.
What is the InChIKey of 8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is LYOVQYKPFRJRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-6-9(13)8-4-3-5-10(14-2)11(8)12-7/h6,10H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 193.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 12798232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).