3-ethenyl-1,2,6-trimethylquinolin-4-one

C14H15NO — CID 126606942

IUPAC3-ethenyl-1,2,6-trimethylquinolin-4-one
SMILESC=Cc1c(C)n(C)c2ccc(C)cc2c1=O
InChIInChI=1S/C14H15NO/c1-5-11-10(3)15(4)13-7-6-9(2)8-12(13)14(11)16/h5-8H,1H2,2-4H3
InChIKeyOQUAWBWDDCRIJB-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.80
Rot. Bonds1

About 3-ethenyl-1,2,6-trimethylquinolin-4-one

3-ethenyl-1,2,6-trimethylquinolin-4-one (PubChem CID 126606942) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-ethenyl-1,2,6-trimethylquinolin-4-one.

Molecular Properties

Compound Name3-ethenyl-1,2,6-trimethylquinolin-4-one
PubChem CID126606942
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-ethenyl-1,2,6-trimethylquinolin-4-one
SMILESC=Cc1c(C)n(C)c2ccc(C)cc2c1=O
InChIInChI=1S/C14H15NO/c1-5-11-10(3)15(4)13-7-6-9(2)8-12(13)14(11)16/h5-8H,1H2,2-4H3
InChIKeyOQUAWBWDDCRIJB-UHFFFAOYSA-N
XLogP2.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,2,6-trimethylquinolin-4-one?
The IUPAC name of 3-ethenyl-1,2,6-trimethylquinolin-4-one (CID 126606942) is 3-ethenyl-1,2,6-trimethylquinolin-4-one.
What is the SMILES notation for 3-ethenyl-1,2,6-trimethylquinolin-4-one?
The canonical SMILES for 3-ethenyl-1,2,6-trimethylquinolin-4-one is C=Cc1c(C)n(C)c2ccc(C)cc2c1=O.
What is the InChIKey of 3-ethenyl-1,2,6-trimethylquinolin-4-one?
The InChIKey is OQUAWBWDDCRIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-5-11-10(3)15(4)13-7-6-9(2)8-12(13)14(11)16/h5-8H,1H2,2-4H3.
What are the key properties of 3-ethenyl-1,2,6-trimethylquinolin-4-one?
3-ethenyl-1,2,6-trimethylquinolin-4-one has a molecular weight of 213.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,2,6-trimethylquinolin-4-one is sourced from PubChem (CID 126606942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).