4-chloro-7-(2-methoxyethoxy)quinoline

C12H12ClNO2 — CID 22265262

IUPAC4-chloro-7-(2-methoxyethoxy)quinoline
SMILESCOCCOc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C12H12ClNO2/c1-15-6-7-16-9-2-3-10-11(13)4-5-14-12(10)8-9/h2-5,8H,6-7H2,1H3
InChIKeyUKLVPOOKLUVDIP-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.91
Rot. Bonds4

About 4-chloro-7-(2-methoxyethoxy)quinoline

4-chloro-7-(2-methoxyethoxy)quinoline (PubChem CID 22265262) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-chloro-7-(2-methoxyethoxy)quinoline.

Molecular Properties

Compound Name4-chloro-7-(2-methoxyethoxy)quinoline
PubChem CID22265262
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name4-chloro-7-(2-methoxyethoxy)quinoline
SMILESCOCCOc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C12H12ClNO2/c1-15-6-7-16-9-2-3-10-11(13)4-5-14-12(10)8-9/h2-5,8H,6-7H2,1H3
InChIKeyUKLVPOOKLUVDIP-UHFFFAOYSA-N
XLogP2.91
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-7-(2-methoxyethoxy)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(2-methoxyethoxy)quinoline?
The IUPAC name of 4-chloro-7-(2-methoxyethoxy)quinoline (CID 22265262) is 4-chloro-7-(2-methoxyethoxy)quinoline.
What is the SMILES notation for 4-chloro-7-(2-methoxyethoxy)quinoline?
The canonical SMILES for 4-chloro-7-(2-methoxyethoxy)quinoline is COCCOc1ccc2c(Cl)ccnc2c1.
What is the InChIKey of 4-chloro-7-(2-methoxyethoxy)quinoline?
The InChIKey is UKLVPOOKLUVDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-15-6-7-16-9-2-3-10-11(13)4-5-14-12(10)8-9/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-chloro-7-(2-methoxyethoxy)quinoline?
4-chloro-7-(2-methoxyethoxy)quinoline has a molecular weight of 237.69 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(2-methoxyethoxy)quinoline is sourced from PubChem (CID 22265262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).