2-dodecyl-1-hydroxyquinolin-4-one

C21H31NO2 — CID 600305

IUPAC2-dodecyl-1-hydroxyquinolin-4-one
SMILESCCCCCCCCCCCCc1cc(=O)c2ccccc2n1O
InChIInChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-17,24H,2-11,14H2,1H3
InChIKeySBALADRDZPFHLM-UHFFFAOYSA-N
MW329.48 g/mol
LogP5.70
Rot. Bonds11

About 2-dodecyl-1-hydroxyquinolin-4-one

2-dodecyl-1-hydroxyquinolin-4-one (PubChem CID 600305) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 2-dodecyl-1-hydroxyquinolin-4-one.

Molecular Properties

Compound Name2-dodecyl-1-hydroxyquinolin-4-one
PubChem CID600305
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name2-dodecyl-1-hydroxyquinolin-4-one
SMILESCCCCCCCCCCCCc1cc(=O)c2ccccc2n1O
InChIInChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-17,24H,2-11,14H2,1H3
InChIKeySBALADRDZPFHLM-UHFFFAOYSA-N
XLogP5.70
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.48
LogP ≤ 55.70
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'}

Analyze 2-dodecyl-1-hydroxyquinolin-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-dodecyl-1-hydroxyquinolin-4-one?
The IUPAC name of 2-dodecyl-1-hydroxyquinolin-4-one (CID 600305) is 2-dodecyl-1-hydroxyquinolin-4-one.
What is the SMILES notation for 2-dodecyl-1-hydroxyquinolin-4-one?
The canonical SMILES for 2-dodecyl-1-hydroxyquinolin-4-one is CCCCCCCCCCCCc1cc(=O)c2ccccc2n1O.
What is the InChIKey of 2-dodecyl-1-hydroxyquinolin-4-one?
The InChIKey is SBALADRDZPFHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-17,24H,2-11,14H2,1H3.
What are the key properties of 2-dodecyl-1-hydroxyquinolin-4-one?
2-dodecyl-1-hydroxyquinolin-4-one has a molecular weight of 329.48 g/mol, XLogP of 5.70, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-1-hydroxyquinolin-4-one is sourced from PubChem (CID 600305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).