3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline

C21H23NO4 — CID 70130653

IUPAC3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline
SMILESCOCCOCOc1cc2ccccc2nc1COCc1ccccc1
InChIInChI=1S/C21H23NO4/c1-23-11-12-24-16-26-21-13-18-9-5-6-10-19(18)22-20(21)15-25-14-17-7-3-2-4-8-17/h2-10,13H,11-12,14-16H2,1H3
InChIKeyUXHLSWGSBPEINM-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.95
Rot. Bonds10

About 3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline

3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline (PubChem CID 70130653) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline.

Molecular Properties

Compound Name3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline
PubChem CID70130653
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline
SMILESCOCCOCOc1cc2ccccc2nc1COCc1ccccc1
InChIInChI=1S/C21H23NO4/c1-23-11-12-24-16-26-21-13-18-9-5-6-10-19(18)22-20(21)15-25-14-17-7-3-2-4-8-17/h2-10,13H,11-12,14-16H2,1H3
InChIKeyUXHLSWGSBPEINM-UHFFFAOYSA-N
XLogP3.95
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-methoxy-3-phenylmethoxyquinoline
CID 154390747
2-benzyl-3-methoxyquinoline
CID 159244403
2,3-bis(2-methoxyethoxy)quinoline
CID 140540726
1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene
CID 6709920
3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide
CID 131887821
2-butoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)pyridine
CID 71733309
2-chloro-3-(2-methoxyethoxymethyl)quinoline
CID 54938690
2,3-bis[2-(2-methoxyethoxy)ethoxy]phenazine
CID 156904974
1-bromo-2-(2-methoxyethoxymethoxy)benzene
CID 16655302
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline?
The IUPAC name of 3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline (CID 70130653) is 3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline.
What is the SMILES notation for 3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline?
The canonical SMILES for 3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline is COCCOCOc1cc2ccccc2nc1COCc1ccccc1.
What is the InChIKey of 3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline?
The InChIKey is UXHLSWGSBPEINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-23-11-12-24-16-26-21-13-18-9-5-6-10-19(18)22-20(21)15-25-14-17-7-3-2-4-8-17/h2-10,13H,11-12,14-16H2,1H3.
What are the key properties of 3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline?
3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline has a molecular weight of 353.42 g/mol, XLogP of 3.95, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethoxy)-2-(phenylmethoxymethyl)quinoline is sourced from PubChem (CID 70130653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).