2-chloro-3-(2-methoxyethoxymethyl)quinoline

C13H14ClNO2 — CID 54938690

IUPAC2-chloro-3-(2-methoxyethoxymethyl)quinoline
SMILESCOCCOCc1cc2ccccc2nc1Cl
InChIInChI=1S/C13H14ClNO2/c1-16-6-7-17-9-11-8-10-4-2-3-5-12(10)15-13(11)14/h2-5,8H,6-7,9H2,1H3
InChIKeyUGLQENNARFZAMW-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.05
Rot. Bonds5

About 2-chloro-3-(2-methoxyethoxymethyl)quinoline

2-chloro-3-(2-methoxyethoxymethyl)quinoline (PubChem CID 54938690) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-chloro-3-(2-methoxyethoxymethyl)quinoline.

Molecular Properties

Compound Name2-chloro-3-(2-methoxyethoxymethyl)quinoline
PubChem CID54938690
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name2-chloro-3-(2-methoxyethoxymethyl)quinoline
SMILESCOCCOCc1cc2ccccc2nc1Cl
InChIInChI=1S/C13H14ClNO2/c1-16-6-7-17-9-11-8-10-4-2-3-5-12(10)15-13(11)14/h2-5,8H,6-7,9H2,1H3
InChIKeyUGLQENNARFZAMW-UHFFFAOYSA-N
XLogP3.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-methoxyethoxymethyl)quinoline?
The IUPAC name of 2-chloro-3-(2-methoxyethoxymethyl)quinoline (CID 54938690) is 2-chloro-3-(2-methoxyethoxymethyl)quinoline.
What is the SMILES notation for 2-chloro-3-(2-methoxyethoxymethyl)quinoline?
The canonical SMILES for 2-chloro-3-(2-methoxyethoxymethyl)quinoline is COCCOCc1cc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-3-(2-methoxyethoxymethyl)quinoline?
The InChIKey is UGLQENNARFZAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-16-6-7-17-9-11-8-10-4-2-3-5-12(10)15-13(11)14/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 2-chloro-3-(2-methoxyethoxymethyl)quinoline?
2-chloro-3-(2-methoxyethoxymethyl)quinoline has a molecular weight of 251.71 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-methoxyethoxymethyl)quinoline is sourced from PubChem (CID 54938690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).