lithium 5-phenylquinolin-1-ium-8-olate

C15H11LiNO+ — CID 59044611

IUPAClithium 5-phenylquinolin-1-ium-8-olate
SMILES[Li+].[O-]c1ccc(-c2ccccc2)c2ccc[nH+]c12
InChIInChI=1S/C15H11NO.Li/c17-14-9-8-12(11-5-2-1-3-6-11)13-7-4-10-16-15(13)14;/h1-10,17H;/q;+1
InChIKeySGDCWOPQAYVKHC-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.60
Rot. Bonds1

About lithium 5-phenylquinolin-1-ium-8-olate

lithium 5-phenylquinolin-1-ium-8-olate (PubChem CID 59044611) has the molecular formula C15H11LiNO+ and a molecular weight of 228.20 g/mol. Its IUPAC name is lithium 5-phenylquinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium 5-phenylquinolin-1-ium-8-olate
PubChem CID59044611
Molecular FormulaC15H11LiNO+
Molecular Weight228.20 g/mol
Exact Mass228.10
IUPAC Namelithium 5-phenylquinolin-1-ium-8-olate
SMILES[Li+].[O-]c1ccc(-c2ccccc2)c2ccc[nH+]c12
InChIInChI=1S/C15H11NO.Li/c17-14-9-8-12(11-5-2-1-3-6-11)13-7-4-10-16-15(13)14;/h1-10,17H;/q;+1
InChIKeySGDCWOPQAYVKHC-UHFFFAOYSA-N
XLogP-0.60
TPSA37.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-8-hydroxyquinoline
CID 71208
[3-(1H-Indol-3-yl)-propyl]-[2-(quinolin-8-yloxy)-ethyl]-amine
CID 9906183
5-(Anilinomethyl)quinolin-8-ol
CID 644901
5-(Phenylmethyl)-8-quinolinol
CID 81403
5-(Pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 776032
7-Hydroxyindole
CID 2737651
5-[(2-Fluoroanilino)methyl]-8-quinolinol
CID 655278
7-Hydroxyellipticine
CID 125663
5-[(4-Methylanilino)methyl]quinolin-8-ol
CID 965016
5-({[3-(Trifluoromethyl)phenyl]amino}methyl)quinolin-8-ol
CID 1090309
5-(o-Tolylamino-methyl)-quinolin-8-ol
CID 1090312
5-[(2,3-Dimethylanilino)methyl]quinolin-8-ol
CID 1090315

Frequently Asked Questions

What is the IUPAC name of lithium 5-phenylquinolin-1-ium-8-olate?
The IUPAC name of lithium 5-phenylquinolin-1-ium-8-olate (CID 59044611) is lithium 5-phenylquinolin-1-ium-8-olate.
What is the SMILES notation for lithium 5-phenylquinolin-1-ium-8-olate?
The canonical SMILES for lithium 5-phenylquinolin-1-ium-8-olate is [Li+].[O-]c1ccc(-c2ccccc2)c2ccc[nH+]c12.
What is the InChIKey of lithium 5-phenylquinolin-1-ium-8-olate?
The InChIKey is SGDCWOPQAYVKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO.Li/c17-14-9-8-12(11-5-2-1-3-6-11)13-7-4-10-16-15(13)14;/h1-10,17H;/q;+1.
What are the key properties of lithium 5-phenylquinolin-1-ium-8-olate?
lithium 5-phenylquinolin-1-ium-8-olate has a molecular weight of 228.20 g/mol, XLogP of -0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-phenylquinolin-1-ium-8-olate is sourced from PubChem (CID 59044611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).