6-ethoxy-1-ethyl-2,2,4-trimethylquinoline

C16H23NO — CID 86152390

IUPAC6-ethoxy-1-ethyl-2,2,4-trimethylquinoline
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2CC
InChIInChI=1S/C16H23NO/c1-6-17-15-9-8-13(18-7-2)10-14(15)12(3)11-16(17,4)5/h8-11H,6-7H2,1-5H3
InChIKeyYABRVLJEMCDWQI-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.11
Rot. Bonds3

About 6-ethoxy-1-ethyl-2,2,4-trimethylquinoline

6-ethoxy-1-ethyl-2,2,4-trimethylquinoline (PubChem CID 86152390) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-ethoxy-1-ethyl-2,2,4-trimethylquinoline.

Molecular Properties

Compound Name6-ethoxy-1-ethyl-2,2,4-trimethylquinoline
PubChem CID86152390
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name6-ethoxy-1-ethyl-2,2,4-trimethylquinoline
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2CC
InChIInChI=1S/C16H23NO/c1-6-17-15-9-8-13(18-7-2)10-14(15)12(3)11-16(17,4)5/h8-11H,6-7H2,1-5H3
InChIKeyYABRVLJEMCDWQI-UHFFFAOYSA-N
XLogP4.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
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-1-ethyl-2,2,4-trimethylquinoline?
The IUPAC name of 6-ethoxy-1-ethyl-2,2,4-trimethylquinoline (CID 86152390) is 6-ethoxy-1-ethyl-2,2,4-trimethylquinoline.
What is the SMILES notation for 6-ethoxy-1-ethyl-2,2,4-trimethylquinoline?
The canonical SMILES for 6-ethoxy-1-ethyl-2,2,4-trimethylquinoline is CCOc1ccc2c(c1)C(C)=CC(C)(C)N2CC.
What is the InChIKey of 6-ethoxy-1-ethyl-2,2,4-trimethylquinoline?
The InChIKey is YABRVLJEMCDWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-6-17-15-9-8-13(18-7-2)10-14(15)12(3)11-16(17,4)5/h8-11H,6-7H2,1-5H3.
What are the key properties of 6-ethoxy-1-ethyl-2,2,4-trimethylquinoline?
6-ethoxy-1-ethyl-2,2,4-trimethylquinoline has a molecular weight of 245.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-ethyl-2,2,4-trimethylquinoline is sourced from PubChem (CID 86152390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).