4-tridecylquinolin-8-ol

C22H33NO — CID 102274119

IUPAC4-tridecylquinolin-8-ol
SMILESCCCCCCCCCCCCCc1ccnc2c(O)cccc12
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-17-18-23-22-20(19)15-13-16-21(22)24/h13,15-18,24H,2-12,14H2,1H3
InChIKeyNWSNSYNIXJMITB-UHFFFAOYSA-N
MW327.51 g/mol
LogP6.79
Rot. Bonds12

About 4-tridecylquinolin-8-ol

4-tridecylquinolin-8-ol (PubChem CID 102274119) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 4-tridecylquinolin-8-ol.

Molecular Properties

Compound Name4-tridecylquinolin-8-ol
PubChem CID102274119
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name4-tridecylquinolin-8-ol
SMILESCCCCCCCCCCCCCc1ccnc2c(O)cccc12
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-17-18-23-22-20(19)15-13-16-21(22)24/h13,15-18,24H,2-12,14H2,1H3
InChIKeyNWSNSYNIXJMITB-UHFFFAOYSA-N
XLogP6.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tridecylquinolin-8-ol 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

5-undecylquinolin-8-ol
CID 10780517
4,7-didodecyl-1,10-phenanthroline
CID 10098057
4,7-di(tridecyl)-1,10-phenanthroline
CID 5194028
4,7-dihexyl-1,10-phenanthroline
CID 10904194
4-butyl-8-(trifluoromethyl)quinoline
CID 90717731
4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline
CID 67551289
4-butyl-1,8-naphthyridine
CID 20689310
5-(octoxymethyl)quinolin-8-ol;hydrochloride
CID 46946912
4,9-dihexylpicene
CID 58426524
4,9-didodecylpicene
CID 58426566
4-[2-(1-aminocyclopropyl)ethyl]quinolin-8-ol
CID 105485665
1-tetradecylnaphthalene
CID 14402128

Frequently Asked Questions

What is the IUPAC name of 4-tridecylquinolin-8-ol?
The IUPAC name of 4-tridecylquinolin-8-ol (CID 102274119) is 4-tridecylquinolin-8-ol.
What is the SMILES notation for 4-tridecylquinolin-8-ol?
The canonical SMILES for 4-tridecylquinolin-8-ol is CCCCCCCCCCCCCc1ccnc2c(O)cccc12.
What is the InChIKey of 4-tridecylquinolin-8-ol?
The InChIKey is NWSNSYNIXJMITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-17-18-23-22-20(19)15-13-16-21(22)24/h13,15-18,24H,2-12,14H2,1H3.
What are the key properties of 4-tridecylquinolin-8-ol?
4-tridecylquinolin-8-ol has a molecular weight of 327.51 g/mol, XLogP of 6.79, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tridecylquinolin-8-ol is sourced from PubChem (CID 102274119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).