2-chloro-5,6-dimethoxyquinoline

C11H10ClNO2 — CID 146155196

IUPAC2-chloro-5,6-dimethoxyquinoline
SMILESCOc1ccc2nc(Cl)ccc2c1OC
InChIInChI=1S/C11H10ClNO2/c1-14-9-5-4-8-7(11(9)15-2)3-6-10(12)13-8/h3-6H,1-2H3
InChIKeyGJMJISROCJIBKU-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.91
Rot. Bonds2

About 2-chloro-5,6-dimethoxyquinoline

2-chloro-5,6-dimethoxyquinoline (PubChem CID 146155196) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-5,6-dimethoxyquinoline.

Molecular Properties

Compound Name2-chloro-5,6-dimethoxyquinoline
PubChem CID146155196
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-chloro-5,6-dimethoxyquinoline
SMILESCOc1ccc2nc(Cl)ccc2c1OC
InChIInChI=1S/C11H10ClNO2/c1-14-9-5-4-8-7(11(9)15-2)3-6-10(12)13-8/h3-6H,1-2H3
InChIKeyGJMJISROCJIBKU-UHFFFAOYSA-N
XLogP2.91
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethoxyquinoline?
The IUPAC name of 2-chloro-5,6-dimethoxyquinoline (CID 146155196) is 2-chloro-5,6-dimethoxyquinoline.
What is the SMILES notation for 2-chloro-5,6-dimethoxyquinoline?
The canonical SMILES for 2-chloro-5,6-dimethoxyquinoline is COc1ccc2nc(Cl)ccc2c1OC.
What is the InChIKey of 2-chloro-5,6-dimethoxyquinoline?
The InChIKey is GJMJISROCJIBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-14-9-5-4-8-7(11(9)15-2)3-6-10(12)13-8/h3-6H,1-2H3.
What are the key properties of 2-chloro-5,6-dimethoxyquinoline?
2-chloro-5,6-dimethoxyquinoline has a molecular weight of 223.66 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethoxyquinoline is sourced from PubChem (CID 146155196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).