octyl 8-hydroxyquinoline-5-carboxylate

C18H23NO3 — CID 125377518

IUPACoctyl 8-hydroxyquinoline-5-carboxylate
SMILESCCCCCCCCOC(=O)c1ccc(O)c2ncccc12
InChIInChI=1S/C18H23NO3/c1-2-3-4-5-6-7-13-22-18(21)15-10-11-16(20)17-14(15)9-8-12-19-17/h8-12,20H,2-7,13H2,1H3
InChIKeyYKHNNZLMYRHIDM-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.46
Rot. Bonds8

About octyl 8-hydroxyquinoline-5-carboxylate

octyl 8-hydroxyquinoline-5-carboxylate (PubChem CID 125377518) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is octyl 8-hydroxyquinoline-5-carboxylate.

Molecular Properties

Compound Nameoctyl 8-hydroxyquinoline-5-carboxylate
PubChem CID125377518
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Nameoctyl 8-hydroxyquinoline-5-carboxylate
SMILESCCCCCCCCOC(=O)c1ccc(O)c2ncccc12
InChIInChI=1S/C18H23NO3/c1-2-3-4-5-6-7-13-22-18(21)15-10-11-16(20)17-14(15)9-8-12-19-17/h8-12,20H,2-7,13H2,1H3
InChIKeyYKHNNZLMYRHIDM-UHFFFAOYSA-N
XLogP4.46
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze octyl 8-hydroxyquinoline-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Hydroxy-5-quinolinecarboxylic acid
CID 459617
8-Quinolinol, benzoate (1:1)
CID 62626
5-(Hydroxymethyl)quinolin-8-ol
CID 675786
5-(Isobutoxymethyl)-8-quinolinol
CID 761896
Quinacetol
CID 95877
8-Hydroxyquinoline-5-carbaldehyde
CID 275363
Quininic acid
CID 345824
5-(Propoxymethyl)quinolin-8-ol
CID 1895574
1-(8-Hydroxy-quinolin-5-ylmethyl)-piperidine-4-carboxylic acid ethyl ester
CID 652581
8-Methoxy-2-phenylquinoline-4-carboxylic acid
CID 707375
8-Hydroxyquinoline-4-carboxylic acid
CID 97394
5-(Methoxymethyl)quinolin-8-ol
CID 690129

Frequently Asked Questions

What is the IUPAC name of octyl 8-hydroxyquinoline-5-carboxylate?
The IUPAC name of octyl 8-hydroxyquinoline-5-carboxylate (CID 125377518) is octyl 8-hydroxyquinoline-5-carboxylate.
What is the SMILES notation for octyl 8-hydroxyquinoline-5-carboxylate?
The canonical SMILES for octyl 8-hydroxyquinoline-5-carboxylate is CCCCCCCCOC(=O)c1ccc(O)c2ncccc12.
What is the InChIKey of octyl 8-hydroxyquinoline-5-carboxylate?
The InChIKey is YKHNNZLMYRHIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-2-3-4-5-6-7-13-22-18(21)15-10-11-16(20)17-14(15)9-8-12-19-17/h8-12,20H,2-7,13H2,1H3.
What are the key properties of octyl 8-hydroxyquinoline-5-carboxylate?
octyl 8-hydroxyquinoline-5-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 8-hydroxyquinoline-5-carboxylate is sourced from PubChem (CID 125377518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).