5-undecylquinolin-8-ol

C20H29NO — CID 10780517

IUPAC5-undecylquinolin-8-ol
SMILESCCCCCCCCCCCc1ccc(O)c2ncccc12
InChIInChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-12-17-14-15-19(22)20-18(17)13-11-16-21-20/h11,13-16,22H,2-10,12H2,1H3
InChIKeyBTSPZWJJOSOKDA-UHFFFAOYSA-N
MW299.46 g/mol
LogP6.01
Rot. Bonds10

About 5-undecylquinolin-8-ol

5-undecylquinolin-8-ol (PubChem CID 10780517) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 5-undecylquinolin-8-ol.

Molecular Properties

Compound Name5-undecylquinolin-8-ol
PubChem CID10780517
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name5-undecylquinolin-8-ol
SMILESCCCCCCCCCCCc1ccc(O)c2ncccc12
InChIInChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-12-17-14-15-19(22)20-18(17)13-11-16-21-20/h11,13-16,22H,2-10,12H2,1H3
InChIKeyBTSPZWJJOSOKDA-UHFFFAOYSA-N
XLogP6.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tridecylquinolin-8-ol
CID 102274119
5-(octoxymethyl)quinolin-8-ol;hydrochloride
CID 46946912
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
5-(methylsulfanylmethyl)quinolin-8-ol
CID 58730254
2-(8-hydroxyquinolin-5-yl)ethyl acetate
CID 90678815
5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol
CID 71678902
3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate
CID 151753034
5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride
CID 87133859
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020

Frequently Asked Questions

What is the IUPAC name of 5-undecylquinolin-8-ol?
The IUPAC name of 5-undecylquinolin-8-ol (CID 10780517) is 5-undecylquinolin-8-ol.
What is the SMILES notation for 5-undecylquinolin-8-ol?
The canonical SMILES for 5-undecylquinolin-8-ol is CCCCCCCCCCCc1ccc(O)c2ncccc12.
What is the InChIKey of 5-undecylquinolin-8-ol?
The InChIKey is BTSPZWJJOSOKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-12-17-14-15-19(22)20-18(17)13-11-16-21-20/h11,13-16,22H,2-10,12H2,1H3.
What are the key properties of 5-undecylquinolin-8-ol?
5-undecylquinolin-8-ol has a molecular weight of 299.46 g/mol, XLogP of 6.01, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-undecylquinolin-8-ol is sourced from PubChem (CID 10780517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).