2-octyl-1H-quinolin-4-one

C17H23NO — CID 594526

IUPAC2-octyl-1H-quinolin-4-one
SMILESCCCCCCCCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H23NO/c1-2-3-4-5-6-7-10-14-13-17(19)15-11-8-9-12-16(15)18-14/h8-9,11-13H,2-7,10H2,1H3,(H,18,19)
InChIKeyYODYNZHLZUOZLK-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.43
Rot. Bonds7

About 2-octyl-1H-quinolin-4-one

2-octyl-1H-quinolin-4-one (PubChem CID 594526) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-octyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-octyl-1H-quinolin-4-one
PubChem CID594526
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-octyl-1H-quinolin-4-one
SMILESCCCCCCCCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H23NO/c1-2-3-4-5-6-7-10-14-13-17(19)15-11-8-9-12-16(15)18-14/h8-9,11-13H,2-7,10H2,1H3,(H,18,19)
InChIKeyYODYNZHLZUOZLK-UHFFFAOYSA-N
XLogP4.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-octyl-1H-quinolin-4-one?
The IUPAC name of 2-octyl-1H-quinolin-4-one (CID 594526) is 2-octyl-1H-quinolin-4-one.
What is the SMILES notation for 2-octyl-1H-quinolin-4-one?
The canonical SMILES for 2-octyl-1H-quinolin-4-one is CCCCCCCCc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-octyl-1H-quinolin-4-one?
The InChIKey is YODYNZHLZUOZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-3-4-5-6-7-10-14-13-17(19)15-11-8-9-12-16(15)18-14/h8-9,11-13H,2-7,10H2,1H3,(H,18,19).
What are the key properties of 2-octyl-1H-quinolin-4-one?
2-octyl-1H-quinolin-4-one has a molecular weight of 257.38 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-1H-quinolin-4-one is sourced from PubChem (CID 594526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).