2-chloro-8-methoxyquinoline

C10H8ClNO — CID 3585267

IUPAC2-chloro-8-methoxyquinoline
SMILESCOc1cccc2ccc(Cl)nc12
InChIInChI=1S/C10H8ClNO/c1-13-8-4-2-3-7-5-6-9(11)12-10(7)8/h2-6H,1H3
InChIKeyIYADVMNJDHMUBV-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.90
Rot. Bonds1

About 2-chloro-8-methoxyquinoline

2-chloro-8-methoxyquinoline (PubChem CID 3585267) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 2-chloro-8-methoxyquinoline.

Molecular Properties

Compound Name2-chloro-8-methoxyquinoline
PubChem CID3585267
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name2-chloro-8-methoxyquinoline
SMILESCOc1cccc2ccc(Cl)nc12
InChIInChI=1S/C10H8ClNO/c1-13-8-4-2-3-7-5-6-9(11)12-10(7)8/h2-6H,1H3
InChIKeyIYADVMNJDHMUBV-UHFFFAOYSA-N
XLogP2.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-8-methoxyquinoline?
The IUPAC name of 2-chloro-8-methoxyquinoline (CID 3585267) is 2-chloro-8-methoxyquinoline.
What is the SMILES notation for 2-chloro-8-methoxyquinoline?
The canonical SMILES for 2-chloro-8-methoxyquinoline is COc1cccc2ccc(Cl)nc12.
What is the InChIKey of 2-chloro-8-methoxyquinoline?
The InChIKey is IYADVMNJDHMUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-13-8-4-2-3-7-5-6-9(11)12-10(7)8/h2-6H,1H3.
What are the key properties of 2-chloro-8-methoxyquinoline?
2-chloro-8-methoxyquinoline has a molecular weight of 193.63 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methoxyquinoline is sourced from PubChem (CID 3585267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).