2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one

C19H23NO — CID 90993650

IUPAC2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one
SMILESCC(C)=CCCC(C)=CCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C19H23NO/c1-14(2)7-6-8-15(3)11-12-16-13-19(21)17-9-4-5-10-18(17)20-16/h4-5,7,9-11,13H,6,8,12H2,1-3H3,(H,20,21)
InChIKeyLLYPOIMZOFLFCO-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.76
Rot. Bonds5

About 2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one

2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one (PubChem CID 90993650) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one
PubChem CID90993650
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one
SMILESCC(C)=CCCC(C)=CCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C19H23NO/c1-14(2)7-6-8-15(3)11-12-16-13-19(21)17-9-4-5-10-18(17)20-16/h4-5,7,9-11,13H,6,8,12H2,1-3H3,(H,20,21)
InChIKeyLLYPOIMZOFLFCO-UHFFFAOYSA-N
XLogP4.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one?
The IUPAC name of 2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one (CID 90993650) is 2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one is CC(C)=CCCC(C)=CCc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one?
The InChIKey is LLYPOIMZOFLFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(2)7-6-8-15(3)11-12-16-13-19(21)17-9-4-5-10-18(17)20-16/h4-5,7,9-11,13H,6,8,12H2,1-3H3,(H,20,21).
What are the key properties of 2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one?
2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one has a molecular weight of 281.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one is sourced from PubChem (CID 90993650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).