1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one

C16H21NO — CID 54456372

IUPAC1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one
SMILESCCn1cc(C)c(=O)c2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C16H21NO/c1-7-17-8-9(2)16(18)14-12(5)10(3)11(4)13(6)15(14)17/h8H,7H2,1-6H3
InChIKeyWYLPUMAUORORGE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.56
Rot. Bonds1

About 1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one

1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one (PubChem CID 54456372) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one.

Molecular Properties

Compound Name1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one
PubChem CID54456372
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one
SMILESCCn1cc(C)c(=O)c2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C16H21NO/c1-7-17-8-9(2)16(18)14-12(5)10(3)11(4)13(6)15(14)17/h8H,7H2,1-6H3
InChIKeyWYLPUMAUORORGE-UHFFFAOYSA-N
XLogP3.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one?
The IUPAC name of 1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one (CID 54456372) is 1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one.
What is the SMILES notation for 1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one?
The canonical SMILES for 1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one is CCn1cc(C)c(=O)c2c(C)c(C)c(C)c(C)c21.
What is the InChIKey of 1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one?
The InChIKey is WYLPUMAUORORGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-7-17-8-9(2)16(18)14-12(5)10(3)11(4)13(6)15(14)17/h8H,7H2,1-6H3.
What are the key properties of 1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one?
1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one has a molecular weight of 243.35 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5,6,7,8-pentamethylquinolin-4-one is sourced from PubChem (CID 54456372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).