methyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate

C22H23NO5 — CID 2184814

IUPACmethyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCOCCOc1cccc2ccc(C)nc12
InChIInChI=1S/C22H23NO5/c1-16-10-11-17-6-5-9-20(21(17)23-16)28-15-13-26-12-14-27-19-8-4-3-7-18(19)22(24)25-2/h3-11H,12-15H2,1-2H3
InChIKeyOGGJAVBXHUGJAZ-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.80
Rot. Bonds9

About methyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate

methyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate (PubChem CID 2184814) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate
PubChem CID2184814
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Namemethyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCOCCOc1cccc2ccc(C)nc12
InChIInChI=1S/C22H23NO5/c1-16-10-11-17-6-5-9-20(21(17)23-16)28-15-13-26-12-14-27-19-8-4-3-7-18(19)22(24)25-2/h3-11H,12-15H2,1-2H3
InChIKeyOGGJAVBXHUGJAZ-UHFFFAOYSA-N
XLogP3.80
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate?
The IUPAC name of methyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate (CID 2184814) is methyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate?
The canonical SMILES for methyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate is COC(=O)c1ccccc1OCCOCCOc1cccc2ccc(C)nc12.
What is the InChIKey of methyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate?
The InChIKey is OGGJAVBXHUGJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-16-10-11-17-6-5-9-20(21(17)23-16)28-15-13-26-12-14-27-19-8-4-3-7-18(19)22(24)25-2/h3-11H,12-15H2,1-2H3.
What are the key properties of methyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate?
methyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate has a molecular weight of 381.43 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]ethoxy]benzoate is sourced from PubChem (CID 2184814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).