1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one

C25H35NO — CID 53324548

IUPAC1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one
SMILESCCCCCCCCCCC/C=C/C=C/c1cc(=O)c2ccccc2n1C
InChIInChI=1S/C25H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21-25(27)23-19-16-17-20-24(23)26(22)2/h13-21H,3-12H2,1-2H3/b14-13+,18-15+
InChIKeyCRRVHDSTRNJMQH-UUVOMYAKSA-N
MW365.56 g/mol
LogP7.03
Rot. Bonds12

About 1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one

1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one (PubChem CID 53324548) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is 1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one.

Molecular Properties

Compound Name1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one
PubChem CID53324548
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC Name1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one
SMILESCCCCCCCCCCC/C=C/C=C/c1cc(=O)c2ccccc2n1C
InChIInChI=1S/C25H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21-25(27)23-19-16-17-20-24(23)26(22)2/h13-21H,3-12H2,1-2H3/b14-13+,18-15+
InChIKeyCRRVHDSTRNJMQH-UUVOMYAKSA-N
XLogP7.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one
CID 50994738
1-methyl-2-[(Z)-tetradec-3-enyl]quinolin-4-one
CID 50994736
2-[(E)-dodec-1-enyl]-1-ethylquinolin-4-one
CID 53248820
1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one
CID 53319329
1-methyl-2-[(E)-octadec-9-enyl]quinolin-4-one
CID 71589651
1-methyl-2-undecylquinolin-4-one
CID 5319811
2-heptadecyl-1-methylquinolin-4-one
CID 53316624
octadeca-1,3-dienylbenzene
CID 54155436
2-ethyl-1-methylquinolin-4-one
CID 15733010
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
2-(3-hydroxy-3,7-dimethylocta-1,6-dienyl)-1-methylquinolin-4-one
CID 85054802
2-[(3S)-3-hydroxy-3,7-dimethylocta-1,6-dienyl]-1-methylquinolin-4-one
CID 162901116

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one?
The IUPAC name of 1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one (CID 53324548) is 1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one.
What is the SMILES notation for 1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one?
The canonical SMILES for 1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one is CCCCCCCCCCC/C=C/C=C/c1cc(=O)c2ccccc2n1C.
What is the InChIKey of 1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one?
The InChIKey is CRRVHDSTRNJMQH-UUVOMYAKSA-N. The full InChI is InChI=1S/C25H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21-25(27)23-19-16-17-20-24(23)26(22)2/h13-21H,3-12H2,1-2H3/b14-13+,18-15+.
What are the key properties of 1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one?
1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one has a molecular weight of 365.56 g/mol, XLogP of 7.03, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one is sourced from PubChem (CID 53324548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).