1-hexyl-2,8-dimethoxyquinolin-4-one

C17H23NO3 — CID 5276280

IUPAC1-hexyl-2,8-dimethoxyquinolin-4-one
SMILESCCCCCCn1c(OC)cc(=O)c2cccc(OC)c21
InChIInChI=1S/C17H23NO3/c1-4-5-6-7-11-18-16(21-3)12-14(19)13-9-8-10-15(20-2)17(13)18/h8-10,12H,4-7,11H2,1-3H3
InChIKeyOPUWYYCTTWUEGQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.60
Rot. Bonds7

About 1-hexyl-2,8-dimethoxyquinolin-4-one

1-hexyl-2,8-dimethoxyquinolin-4-one (PubChem CID 5276280) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-hexyl-2,8-dimethoxyquinolin-4-one.

Molecular Properties

Compound Name1-hexyl-2,8-dimethoxyquinolin-4-one
PubChem CID5276280
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-hexyl-2,8-dimethoxyquinolin-4-one
SMILESCCCCCCn1c(OC)cc(=O)c2cccc(OC)c21
InChIInChI=1S/C17H23NO3/c1-4-5-6-7-11-18-16(21-3)12-14(19)13-9-8-10-15(20-2)17(13)18/h8-10,12H,4-7,11H2,1-3H3
InChIKeyOPUWYYCTTWUEGQ-UHFFFAOYSA-N
XLogP3.60
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-2,8-dimethoxyquinolin-4-one?
The IUPAC name of 1-hexyl-2,8-dimethoxyquinolin-4-one (CID 5276280) is 1-hexyl-2,8-dimethoxyquinolin-4-one.
What is the SMILES notation for 1-hexyl-2,8-dimethoxyquinolin-4-one?
The canonical SMILES for 1-hexyl-2,8-dimethoxyquinolin-4-one is CCCCCCn1c(OC)cc(=O)c2cccc(OC)c21.
What is the InChIKey of 1-hexyl-2,8-dimethoxyquinolin-4-one?
The InChIKey is OPUWYYCTTWUEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-5-6-7-11-18-16(21-3)12-14(19)13-9-8-10-15(20-2)17(13)18/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 1-hexyl-2,8-dimethoxyquinolin-4-one?
1-hexyl-2,8-dimethoxyquinolin-4-one has a molecular weight of 289.38 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2,8-dimethoxyquinolin-4-one is sourced from PubChem (CID 5276280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).