2-heptyl-1-hydroxyquinolin-4-one

C16H21NO2 — CID 1561

IUPAC2-heptyl-1-hydroxyquinolin-4-one
SMILESCCCCCCCc1cc(=O)c2ccccc2n1O
InChIInChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,19H,2-6,9H2,1H3
InChIKeyICTVCUOZYWNYHM-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.75
Rot. Bonds6

About 2-heptyl-1-hydroxyquinolin-4-one

2-heptyl-1-hydroxyquinolin-4-one (PubChem CID 1561) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-heptyl-1-hydroxyquinolin-4-one.

Molecular Properties

Compound Name2-heptyl-1-hydroxyquinolin-4-one
PubChem CID1561
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-heptyl-1-hydroxyquinolin-4-one
SMILESCCCCCCCc1cc(=O)c2ccccc2n1O
InChIInChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,19H,2-6,9H2,1H3
InChIKeyICTVCUOZYWNYHM-UHFFFAOYSA-N
XLogP3.75
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1-hydroxyquinolin-4-one?
The IUPAC name of 2-heptyl-1-hydroxyquinolin-4-one (CID 1561) is 2-heptyl-1-hydroxyquinolin-4-one.
What is the SMILES notation for 2-heptyl-1-hydroxyquinolin-4-one?
The canonical SMILES for 2-heptyl-1-hydroxyquinolin-4-one is CCCCCCCc1cc(=O)c2ccccc2n1O.
What is the InChIKey of 2-heptyl-1-hydroxyquinolin-4-one?
The InChIKey is ICTVCUOZYWNYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,19H,2-6,9H2,1H3.
What are the key properties of 2-heptyl-1-hydroxyquinolin-4-one?
2-heptyl-1-hydroxyquinolin-4-one has a molecular weight of 259.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1-hydroxyquinolin-4-one is sourced from PubChem (CID 1561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).