lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate

C13H15LiNO2+ — CID 140801018

IUPAClithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate
SMILESCC(C)(C)Oc1ccc2cccc([O-])c2[nH+]1.[Li+]
InChIInChI=1S/C13H15NO2.Li/c1-13(2,3)16-11-8-7-9-5-4-6-10(15)12(9)14-11;/h4-8,15H,1-3H3;/q;+1
InChIKeyLCTRSCGZWSSHCR-UHFFFAOYSA-N
MW224.21 g/mol
LogP-1.09
Rot. Bonds1

About lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate

lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate (PubChem CID 140801018) has the molecular formula C13H15LiNO2+ and a molecular weight of 224.21 g/mol. Its IUPAC name is lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate
PubChem CID140801018
Molecular FormulaC13H15LiNO2+
Molecular Weight224.21 g/mol
Exact Mass224.13
IUPAC Namelithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate
SMILESCC(C)(C)Oc1ccc2cccc([O-])c2[nH+]1.[Li+]
InChIInChI=1S/C13H15NO2.Li/c1-13(2,3)16-11-8-7-9-5-4-6-10(15)12(9)14-11;/h4-8,15H,1-3H3;/q;+1
InChIKeyLCTRSCGZWSSHCR-UHFFFAOYSA-N
XLogP-1.09
TPSA46.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate 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

bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate
CID 139163221
potassium 2-phenylquinolin-1-ium-8-olate
CID 58233309
1,2-bis[(2-methylpropan-2-yl)oxy]naphthalene
CID 18761970
lithium phenanthren-1-olate
CID 23684870
[1-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxyphosphane
CID 71241204
iron(3+);tris(2-methylquinolin-8-olate)
CID 139058244
beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate
CID 59762870
2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine
CID 10585519
lithium 5-tert-butylquinolin-1-ium-8-olate
CID 140800976
2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 68785646
1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene
CID 90312399
dilithium;benzene-1,2-diolate
CID 12557529

Frequently Asked Questions

What is the IUPAC name of lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate?
The IUPAC name of lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate (CID 140801018) is lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate.
What is the SMILES notation for lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate?
The canonical SMILES for lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate is CC(C)(C)Oc1ccc2cccc([O-])c2[nH+]1.[Li+].
What is the InChIKey of lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate?
The InChIKey is LCTRSCGZWSSHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.Li/c1-13(2,3)16-11-8-7-9-5-4-6-10(15)12(9)14-11;/h4-8,15H,1-3H3;/q;+1.
What are the key properties of lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate?
lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate has a molecular weight of 224.21 g/mol, XLogP of -1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[(2-methylpropan-2-yl)oxy]quinolin-1-ium-8-olate is sourced from PubChem (CID 140801018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).