7-nonylquinolin-1-ium-8-ol

C18H26NO+ — CID 5063082

IUPAC7-nonylquinolin-1-ium-8-ol
SMILESCCCCCCCCCc1ccc2ccc[nH+]c2c1O
InChIInChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-10-16-13-12-15-11-9-14-19-17(15)18(16)20/h9,11-14,20H,2-8,10H2,1H3/p+1
InChIKeyPWMOFKKLPZETDD-UHFFFAOYSA-O
MW272.41 g/mol
LogP4.65
Rot. Bonds8

About 7-nonylquinolin-1-ium-8-ol

7-nonylquinolin-1-ium-8-ol (PubChem CID 5063082) has the molecular formula C18H26NO+ and a molecular weight of 272.41 g/mol. Its IUPAC name is 7-nonylquinolin-1-ium-8-ol.

Molecular Properties

Compound Name7-nonylquinolin-1-ium-8-ol
PubChem CID5063082
Molecular FormulaC18H26NO+
Molecular Weight272.41 g/mol
Exact Mass272.20
IUPAC Name7-nonylquinolin-1-ium-8-ol
SMILESCCCCCCCCCc1ccc2ccc[nH+]c2c1O
InChIInChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-10-16-13-12-15-11-9-14-19-17(15)18(16)20/h9,11-14,20H,2-8,10H2,1H3/p+1
InChIKeyPWMOFKKLPZETDD-UHFFFAOYSA-O
XLogP4.65
TPSA34.37 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-methyl-6-undecylphenol
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1,2-didecylnaphthalene
CID 22410831
2-decyl-1-methylnaphthalene
CID 154261310
1,2-di(icosyl)naphthalene
CID 90782201
2-heptadecyl-6-[(3-heptadecyl-2-hydroxyphenyl)methyl]phenol
CID 101275914
2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
CID 12617723
CID 162312155
CID 162312155
CID 66933436
CID 66933436
2-hexyl-1-propylnaphthalene
CID 173300538

Frequently Asked Questions

What is the IUPAC name of 7-nonylquinolin-1-ium-8-ol?
The IUPAC name of 7-nonylquinolin-1-ium-8-ol (CID 5063082) is 7-nonylquinolin-1-ium-8-ol.
What is the SMILES notation for 7-nonylquinolin-1-ium-8-ol?
The canonical SMILES for 7-nonylquinolin-1-ium-8-ol is CCCCCCCCCc1ccc2ccc[nH+]c2c1O.
What is the InChIKey of 7-nonylquinolin-1-ium-8-ol?
The InChIKey is PWMOFKKLPZETDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-10-16-13-12-15-11-9-14-19-17(15)18(16)20/h9,11-14,20H,2-8,10H2,1H3/p+1.
What are the key properties of 7-nonylquinolin-1-ium-8-ol?
7-nonylquinolin-1-ium-8-ol has a molecular weight of 272.41 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nonylquinolin-1-ium-8-ol is sourced from PubChem (CID 5063082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).