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

C20H25NO — CID 90901509

IUPAC2-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-quinolin-4-one
SMILESCC(C)=CCCC(C)=CCc1[nH]c2ccccc2c(=O)c1C
InChIInChI=1S/C20H25NO/c1-14(2)8-7-9-15(3)12-13-18-16(4)20(22)17-10-5-6-11-19(17)21-18/h5-6,8,10-12H,7,9,13H2,1-4H3,(H,21,22)
InChIKeyQFIWUNYGZZMAFG-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.07
Rot. Bonds5

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

2-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-quinolin-4-one (PubChem CID 90901509) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-quinolin-4-one
PubChem CID90901509
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-quinolin-4-one
SMILESCC(C)=CCCC(C)=CCc1[nH]c2ccccc2c(=O)c1C
InChIInChI=1S/C20H25NO/c1-14(2)8-7-9-15(3)12-13-18-16(4)20(22)17-10-5-6-11-19(17)21-18/h5-6,8,10-12H,7,9,13H2,1-4H3,(H,21,22)
InChIKeyQFIWUNYGZZMAFG-UHFFFAOYSA-N
XLogP5.07
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,7-dimethyloct-6-enyl)-3-methyl-1H-quinolin-4-one
CID 170453548
2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one
CID 90993650
2-[(2E,6E,10E,14E,18E,22Z,26E,30E,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3-methylnaphthalene-1,4-diol
CID 175684261
2-methyl-3-[(2E,6E,10Z,14Z,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]naphthalene-1,4-diol
CID 134823864
2-methyl-3-[(2E,6E,10Z,14E,18Z,22Z,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-diol
CID 163201273
2-methyl-3-[(2Z,6Z,10Z,14E,18E,22E,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]naphthalene-1,4-diol
CID 156599551
ethane;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-3-methylnaphthalene-1,4-diol
CID 144787594
2,3-bis[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-dione
CID 53361119
2,3-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalene-1,4-dione
CID 53363554
4-hydroxy-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)chromen-2-one
CID 54683686
2,5-dihydroxy-3,6-bis[2-(4-methylpent-3-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
CID 70130053
2-methyl-3-(3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50-tridecaenyl)naphthalene-1,4-dione
CID 25201329

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-quinolin-4-one (CID 90901509) is 2-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-quinolin-4-one is CC(C)=CCCC(C)=CCc1[nH]c2ccccc2c(=O)c1C.
What is the InChIKey of 2-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-quinolin-4-one?
The InChIKey is QFIWUNYGZZMAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-14(2)8-7-9-15(3)12-13-18-16(4)20(22)17-10-5-6-11-19(17)21-18/h5-6,8,10-12H,7,9,13H2,1-4H3,(H,21,22).
What are the key properties of 2-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-quinolin-4-one?
2-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-quinolin-4-one has a molecular weight of 295.43 g/mol, XLogP of 5.07, 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)-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 90901509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).