lithium 7-chloro-4H-quinolin-4-ide

C9H5ClLiN — CID 88830981

IUPAClithium 7-chloro-4H-quinolin-4-ide
SMILESClc1ccc2[c-]ccnc2c1.[Li+]
InChIInChI=1S/C9H5ClN.Li/c10-8-4-3-7-2-1-5-11-9(7)6-8;/h1,3-6H;/q-1;+1
InChIKeyKEMJGTHEAAULQO-UHFFFAOYSA-N
MW169.54 g/mol
LogP-0.31
Rot. Bonds

About lithium 7-chloro-4H-quinolin-4-ide

lithium 7-chloro-4H-quinolin-4-ide (PubChem CID 88830981) has the molecular formula C9H5ClLiN and a molecular weight of 169.54 g/mol. Its IUPAC name is lithium 7-chloro-4H-quinolin-4-ide.

Molecular Properties

Compound Namelithium 7-chloro-4H-quinolin-4-ide
PubChem CID88830981
Molecular FormulaC9H5ClLiN
Molecular Weight169.54 g/mol
Exact Mass169.03
IUPAC Namelithium 7-chloro-4H-quinolin-4-ide
SMILESClc1ccc2[c-]ccnc2c1.[Li+]
InChIInChI=1S/C9H5ClN.Li/c10-8-4-3-7-2-1-5-11-9(7)6-8;/h1,3-6H;/q-1;+1
InChIKeyKEMJGTHEAAULQO-UHFFFAOYSA-N
XLogP-0.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.54
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 7-chloro-4H-quinolin-4-ide?
The IUPAC name of lithium 7-chloro-4H-quinolin-4-ide (CID 88830981) is lithium 7-chloro-4H-quinolin-4-ide.
What is the SMILES notation for lithium 7-chloro-4H-quinolin-4-ide?
The canonical SMILES for lithium 7-chloro-4H-quinolin-4-ide is Clc1ccc2[c-]ccnc2c1.[Li+].
What is the InChIKey of lithium 7-chloro-4H-quinolin-4-ide?
The InChIKey is KEMJGTHEAAULQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN.Li/c10-8-4-3-7-2-1-5-11-9(7)6-8;/h1,3-6H;/q-1;+1.
What are the key properties of lithium 7-chloro-4H-quinolin-4-ide?
lithium 7-chloro-4H-quinolin-4-ide has a molecular weight of 169.54 g/mol, XLogP of -0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 7-chloro-4H-quinolin-4-ide is sourced from PubChem (CID 88830981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).