2-[(Z)-undec-4-enyl]-1H-quinolin-4-one

C20H27NO — CID 139586265

IUPAC2-[(Z)-undec-4-enyl]-1H-quinolin-4-one
SMILESCCCCCC/C=C\CCCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C20H27NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h7-8,11-12,14-16H,2-6,9-10,13H2,1H3,(H,21,22)/b8-7-
InChIKeySSQJIUWSCJLTTP-FPLPWBNLSA-N
MW297.44 g/mol
LogP5.38
Rot. Bonds9

About 2-[(Z)-undec-4-enyl]-1H-quinolin-4-one

2-[(Z)-undec-4-enyl]-1H-quinolin-4-one (PubChem CID 139586265) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[(Z)-undec-4-enyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(Z)-undec-4-enyl]-1H-quinolin-4-one
PubChem CID139586265
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-[(Z)-undec-4-enyl]-1H-quinolin-4-one
SMILESCCCCCC/C=C\CCCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C20H27NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h7-8,11-12,14-16H,2-6,9-10,13H2,1H3,(H,21,22)/b8-7-
InChIKeySSQJIUWSCJLTTP-FPLPWBNLSA-N
XLogP5.38
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-1H-quinolin-4-one
CID 172676764
2-heptyl-1H-quinolin-4-one
CID 172676765
1-methyl-2-[(Z)-tetradec-3-enyl]quinolin-4-one
CID 50994736
1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one
CID 53319329
1-methyl-2-[(E)-octadec-9-enyl]quinolin-4-one
CID 71589651
2-(5-methylhexyl)-1H-quinolin-4-one
CID 162656936
2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one
CID 163021250
6-bromo-2-butyl-1H-quinolin-4-one
CID 155408645
2-(ethylaminomethyl)-1H-quinolin-4-one
CID 71077140
2-heptyl-6-(2-sulfanylethyl)-1H-quinolin-4-one
CID 156870341
1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one
CID 50994738
2-heptyl-1H-indole
CID 3719004

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-undec-4-enyl]-1H-quinolin-4-one?
The IUPAC name of 2-[(Z)-undec-4-enyl]-1H-quinolin-4-one (CID 139586265) is 2-[(Z)-undec-4-enyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(Z)-undec-4-enyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[(Z)-undec-4-enyl]-1H-quinolin-4-one is CCCCCC/C=C\CCCc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[(Z)-undec-4-enyl]-1H-quinolin-4-one?
The InChIKey is SSQJIUWSCJLTTP-FPLPWBNLSA-N. The full InChI is InChI=1S/C20H27NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h7-8,11-12,14-16H,2-6,9-10,13H2,1H3,(H,21,22)/b8-7-.
What are the key properties of 2-[(Z)-undec-4-enyl]-1H-quinolin-4-one?
2-[(Z)-undec-4-enyl]-1H-quinolin-4-one has a molecular weight of 297.44 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-undec-4-enyl]-1H-quinolin-4-one is sourced from PubChem (CID 139586265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).