2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one

C18H27NO2 — CID 24868444

IUPAC2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one
SMILESCC(=O)CCCCCCCC1=NC2=C(CCCC2)C(=O)C1
InChIInChI=1S/C18H27NO2/c1-14(20)9-5-3-2-4-6-10-15-13-18(21)16-11-7-8-12-17(16)19-15/h2-13H2,1H3
InChIKeyCUKXIIZRWGPMNN-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.55
Rot. Bonds8

About 2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one

2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one (PubChem CID 24868444) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one.

Molecular Properties

Compound Name2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one
PubChem CID24868444
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one
SMILESCC(=O)CCCCCCCC1=NC2=C(CCCC2)C(=O)C1
InChIInChI=1S/C18H27NO2/c1-14(20)9-5-3-2-4-6-10-15-13-18(21)16-11-7-8-12-17(16)19-15/h2-13H2,1H3
InChIKeyCUKXIIZRWGPMNN-UHFFFAOYSA-N
XLogP4.55
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-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

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one?
The IUPAC name of 2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one (CID 24868444) is 2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one.
What is the SMILES notation for 2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one?
The canonical SMILES for 2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one is CC(=O)CCCCCCCC1=NC2=C(CCCC2)C(=O)C1.
What is the InChIKey of 2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one?
The InChIKey is CUKXIIZRWGPMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(20)9-5-3-2-4-6-10-15-13-18(21)16-11-7-8-12-17(16)19-15/h2-13H2,1H3.
What are the key properties of 2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one?
2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one has a molecular weight of 289.42 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one is sourced from PubChem (CID 24868444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).