1-ethoxy-4H-quinolizine

C11H13NO — CID 172855481

IUPAC1-ethoxy-4H-quinolizine
SMILESCCOC1=C2C=CC=CN2CC=C1
InChIInChI=1S/C11H13NO/c1-2-13-11-7-5-9-12-8-4-3-6-10(11)12/h3-8H,2,9H2,1H3
InChIKeyYQJUMRYLVAMGTQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.19
Rot. Bonds2

About 1-ethoxy-4H-quinolizine

1-ethoxy-4H-quinolizine (PubChem CID 172855481) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-ethoxy-4H-quinolizine.

Molecular Properties

Compound Name1-ethoxy-4H-quinolizine
PubChem CID172855481
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-ethoxy-4H-quinolizine
SMILESCCOC1=C2C=CC=CN2CC=C1
InChIInChI=1S/C11H13NO/c1-2-13-11-7-5-9-12-8-4-3-6-10(11)12/h3-8H,2,9H2,1H3
InChIKeyYQJUMRYLVAMGTQ-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4H-quinolizine?
The IUPAC name of 1-ethoxy-4H-quinolizine (CID 172855481) is 1-ethoxy-4H-quinolizine.
What is the SMILES notation for 1-ethoxy-4H-quinolizine?
The canonical SMILES for 1-ethoxy-4H-quinolizine is CCOC1=C2C=CC=CN2CC=C1.
What is the InChIKey of 1-ethoxy-4H-quinolizine?
The InChIKey is YQJUMRYLVAMGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-13-11-7-5-9-12-8-4-3-6-10(11)12/h3-8H,2,9H2,1H3.
What are the key properties of 1-ethoxy-4H-quinolizine?
1-ethoxy-4H-quinolizine has a molecular weight of 175.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4H-quinolizine is sourced from PubChem (CID 172855481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).