2,4-bis(ethenoxy)-5-methylquinoline

C14H13NO2 — CID 71341496

IUPAC2,4-bis(ethenoxy)-5-methylquinoline
SMILESC=COc1cc(OC=C)c2c(C)cccc2n1
InChIInChI=1S/C14H13NO2/c1-4-16-12-9-13(17-5-2)15-11-8-6-7-10(3)14(11)12/h4-9H,1-2H2,3H3
InChIKeyLFRYFSSRLPHWQB-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.59
Rot. Bonds4

About 2,4-bis(ethenoxy)-5-methylquinoline

2,4-bis(ethenoxy)-5-methylquinoline (PubChem CID 71341496) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2,4-bis(ethenoxy)-5-methylquinoline.

Molecular Properties

Compound Name2,4-bis(ethenoxy)-5-methylquinoline
PubChem CID71341496
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2,4-bis(ethenoxy)-5-methylquinoline
SMILESC=COc1cc(OC=C)c2c(C)cccc2n1
InChIInChI=1S/C14H13NO2/c1-4-16-12-9-13(17-5-2)15-11-8-6-7-10(3)14(11)12/h4-9H,1-2H2,3H3
InChIKeyLFRYFSSRLPHWQB-UHFFFAOYSA-N
XLogP3.59
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(ethenoxy)-5-methylquinoline?
The IUPAC name of 2,4-bis(ethenoxy)-5-methylquinoline (CID 71341496) is 2,4-bis(ethenoxy)-5-methylquinoline.
What is the SMILES notation for 2,4-bis(ethenoxy)-5-methylquinoline?
The canonical SMILES for 2,4-bis(ethenoxy)-5-methylquinoline is C=COc1cc(OC=C)c2c(C)cccc2n1.
What is the InChIKey of 2,4-bis(ethenoxy)-5-methylquinoline?
The InChIKey is LFRYFSSRLPHWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-4-16-12-9-13(17-5-2)15-11-8-6-7-10(3)14(11)12/h4-9H,1-2H2,3H3.
What are the key properties of 2,4-bis(ethenoxy)-5-methylquinoline?
2,4-bis(ethenoxy)-5-methylquinoline has a molecular weight of 227.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(ethenoxy)-5-methylquinoline is sourced from PubChem (CID 71341496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).