2-hexyl-8-methoxy-1-methylquinolin-4-one

C17H23NO2 — CID 91664807

IUPAC2-hexyl-8-methoxy-1-methylquinolin-4-one
SMILESCCCCCCc1cc(=O)c2cccc(OC)c2n1C
InChIInChI=1S/C17H23NO2/c1-4-5-6-7-9-13-12-15(19)14-10-8-11-16(20-3)17(14)18(13)2/h8,10-12H,4-7,9H2,1-3H3
InChIKeyQNZHXLHQSVEFSJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.67
Rot. Bonds6

About 2-hexyl-8-methoxy-1-methylquinolin-4-one

2-hexyl-8-methoxy-1-methylquinolin-4-one (PubChem CID 91664807) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-hexyl-8-methoxy-1-methylquinolin-4-one.

Molecular Properties

Compound Name2-hexyl-8-methoxy-1-methylquinolin-4-one
PubChem CID91664807
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-hexyl-8-methoxy-1-methylquinolin-4-one
SMILESCCCCCCc1cc(=O)c2cccc(OC)c2n1C
InChIInChI=1S/C17H23NO2/c1-4-5-6-7-9-13-12-15(19)14-10-8-11-16(20-3)17(14)18(13)2/h8,10-12H,4-7,9H2,1-3H3
InChIKeyQNZHXLHQSVEFSJ-UHFFFAOYSA-N
XLogP3.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.67
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 2-hexyl-8-methoxy-1-methylquinolin-4-one?
The IUPAC name of 2-hexyl-8-methoxy-1-methylquinolin-4-one (CID 91664807) is 2-hexyl-8-methoxy-1-methylquinolin-4-one.
What is the SMILES notation for 2-hexyl-8-methoxy-1-methylquinolin-4-one?
The canonical SMILES for 2-hexyl-8-methoxy-1-methylquinolin-4-one is CCCCCCc1cc(=O)c2cccc(OC)c2n1C.
What is the InChIKey of 2-hexyl-8-methoxy-1-methylquinolin-4-one?
The InChIKey is QNZHXLHQSVEFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-5-6-7-9-13-12-15(19)14-10-8-11-16(20-3)17(14)18(13)2/h8,10-12H,4-7,9H2,1-3H3.
What are the key properties of 2-hexyl-8-methoxy-1-methylquinolin-4-one?
2-hexyl-8-methoxy-1-methylquinolin-4-one has a molecular weight of 273.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-8-methoxy-1-methylquinolin-4-one is sourced from PubChem (CID 91664807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).