lithium 6,7-dimethoxy-4H-quinolin-4-ide

C11H10LiNO2 — CID 88829944

IUPAClithium 6,7-dimethoxy-4H-quinolin-4-ide
SMILESCOc1cc2[c-]ccnc2cc1OC.[Li+]
InChIInChI=1S/C11H10NO2.Li/c1-13-10-6-8-4-3-5-12-9(8)7-11(10)14-2;/h3,5-7H,1-2H3;/q-1;+1
InChIKeyGWBXPSNAYYTYHW-UHFFFAOYSA-N
MW195.15 g/mol
LogP-0.94
Rot. Bonds2

About lithium 6,7-dimethoxy-4H-quinolin-4-ide

lithium 6,7-dimethoxy-4H-quinolin-4-ide (PubChem CID 88829944) has the molecular formula C11H10LiNO2 and a molecular weight of 195.15 g/mol. Its IUPAC name is lithium 6,7-dimethoxy-4H-quinolin-4-ide.

Molecular Properties

Compound Namelithium 6,7-dimethoxy-4H-quinolin-4-ide
PubChem CID88829944
Molecular FormulaC11H10LiNO2
Molecular Weight195.15 g/mol
Exact Mass195.09
IUPAC Namelithium 6,7-dimethoxy-4H-quinolin-4-ide
SMILESCOc1cc2[c-]ccnc2cc1OC.[Li+]
InChIInChI=1S/C11H10NO2.Li/c1-13-10-6-8-4-3-5-12-9(8)7-11(10)14-2;/h3,5-7H,1-2H3;/q-1;+1
InChIKeyGWBXPSNAYYTYHW-UHFFFAOYSA-N
XLogP-0.94
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 6,7-dimethoxy-4H-quinolin-4-ide?
The IUPAC name of lithium 6,7-dimethoxy-4H-quinolin-4-ide (CID 88829944) is lithium 6,7-dimethoxy-4H-quinolin-4-ide.
What is the SMILES notation for lithium 6,7-dimethoxy-4H-quinolin-4-ide?
The canonical SMILES for lithium 6,7-dimethoxy-4H-quinolin-4-ide is COc1cc2[c-]ccnc2cc1OC.[Li+].
What is the InChIKey of lithium 6,7-dimethoxy-4H-quinolin-4-ide?
The InChIKey is GWBXPSNAYYTYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10NO2.Li/c1-13-10-6-8-4-3-5-12-9(8)7-11(10)14-2;/h3,5-7H,1-2H3;/q-1;+1.
What are the key properties of lithium 6,7-dimethoxy-4H-quinolin-4-ide?
lithium 6,7-dimethoxy-4H-quinolin-4-ide has a molecular weight of 195.15 g/mol, XLogP of -0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6,7-dimethoxy-4H-quinolin-4-ide is sourced from PubChem (CID 88829944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).