6-ethoxy-2,2,4-trimethyl-1H-quinoline

C14H19NO — CID 3293

IUPAC6-ethoxy-2,2,4-trimethyl-1H-quinoline
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
InChIKeyDECIPOUIJURFOJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.69
Rot. Bonds2

About 6-ethoxy-2,2,4-trimethyl-1H-quinoline

6-ethoxy-2,2,4-trimethyl-1H-quinoline (PubChem CID 3293) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-ethoxy-2,2,4-trimethyl-1H-quinoline.

Molecular Properties

Compound Name6-ethoxy-2,2,4-trimethyl-1H-quinoline
PubChem CID3293
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name6-ethoxy-2,2,4-trimethyl-1H-quinoline
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
InChIKeyDECIPOUIJURFOJ-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,2,4-trimethyl-1H-quinoline?
The IUPAC name of 6-ethoxy-2,2,4-trimethyl-1H-quinoline (CID 3293) is 6-ethoxy-2,2,4-trimethyl-1H-quinoline.
What is the SMILES notation for 6-ethoxy-2,2,4-trimethyl-1H-quinoline?
The canonical SMILES for 6-ethoxy-2,2,4-trimethyl-1H-quinoline is CCOc1ccc2c(c1)C(C)=CC(C)(C)N2.
What is the InChIKey of 6-ethoxy-2,2,4-trimethyl-1H-quinoline?
The InChIKey is DECIPOUIJURFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3.
What are the key properties of 6-ethoxy-2,2,4-trimethyl-1H-quinoline?
6-ethoxy-2,2,4-trimethyl-1H-quinoline has a molecular weight of 217.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,2,4-trimethyl-1H-quinoline is sourced from PubChem (CID 3293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).