lithium 4,6-dimethylquinoline-8-carboxylate

C12H10LiNO2 — CID 118691351

IUPAClithium 4,6-dimethylquinoline-8-carboxylate
SMILESCc1cc(C(=O)[O-])c2nccc(C)c2c1.[Li+]
InChIInChI=1S/C12H11NO2.Li/c1-7-5-9-8(2)3-4-13-11(9)10(6-7)12(14)15;/h3-6H,1-2H3,(H,14,15);/q;+1/p-1
InChIKeyTWNJDFFROTYQDC-UHFFFAOYSA-M
MW207.16 g/mol
LogP-1.78
Rot. Bonds1

About lithium 4,6-dimethylquinoline-8-carboxylate

lithium 4,6-dimethylquinoline-8-carboxylate (PubChem CID 118691351) has the molecular formula C12H10LiNO2 and a molecular weight of 207.16 g/mol. Its IUPAC name is lithium 4,6-dimethylquinoline-8-carboxylate.

Molecular Properties

Compound Namelithium 4,6-dimethylquinoline-8-carboxylate
PubChem CID118691351
Molecular FormulaC12H10LiNO2
Molecular Weight207.16 g/mol
Exact Mass207.09
IUPAC Namelithium 4,6-dimethylquinoline-8-carboxylate
SMILESCc1cc(C(=O)[O-])c2nccc(C)c2c1.[Li+]
InChIInChI=1S/C12H11NO2.Li/c1-7-5-9-8(2)3-4-13-11(9)10(6-7)12(14)15;/h3-6H,1-2H3,(H,14,15);/q;+1/p-1
InChIKeyTWNJDFFROTYQDC-UHFFFAOYSA-M
XLogP-1.78
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium 4,6-dimethylquinoline-8-carboxylate?
The IUPAC name of lithium 4,6-dimethylquinoline-8-carboxylate (CID 118691351) is lithium 4,6-dimethylquinoline-8-carboxylate.
What is the SMILES notation for lithium 4,6-dimethylquinoline-8-carboxylate?
The canonical SMILES for lithium 4,6-dimethylquinoline-8-carboxylate is Cc1cc(C(=O)[O-])c2nccc(C)c2c1.[Li+].
What is the InChIKey of lithium 4,6-dimethylquinoline-8-carboxylate?
The InChIKey is TWNJDFFROTYQDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO2.Li/c1-7-5-9-8(2)3-4-13-11(9)10(6-7)12(14)15;/h3-6H,1-2H3,(H,14,15);/q;+1/p-1.
What are the key properties of lithium 4,6-dimethylquinoline-8-carboxylate?
lithium 4,6-dimethylquinoline-8-carboxylate has a molecular weight of 207.16 g/mol, XLogP of -1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4,6-dimethylquinoline-8-carboxylate is sourced from PubChem (CID 118691351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).