1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione

C15H21NO2 — CID 10422086

IUPAC1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCCCCCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C15H21NO2/c1-2-3-4-5-11-16-13-7-6-8-14(17)12(13)9-10-15(16)18/h9-10H,2-8,11H2,1H3
InChIKeyXUPWYKMMPHMUEZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.95
Rot. Bonds5

About 1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione

1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 10422086) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID10422086
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCCCCCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C15H21NO2/c1-2-3-4-5-11-16-13-7-6-8-14(17)12(13)9-10-15(16)18/h9-10H,2-8,11H2,1H3
InChIKeyXUPWYKMMPHMUEZ-UHFFFAOYSA-N
XLogP2.95
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione (CID 10422086) is 1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione is CCCCCCn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is XUPWYKMMPHMUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-4-5-11-16-13-7-6-8-14(17)12(13)9-10-15(16)18/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione?
1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 247.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 10422086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).