2-(4-oxoquinolizin-3-yl)ethyl formate

C12H11NO3 — CID 175086067

IUPAC2-(4-oxoquinolizin-3-yl)ethyl formate
SMILESO=COCCc1ccc2ccccn2c1=O
InChIInChI=1S/C12H11NO3/c14-9-16-8-6-10-4-5-11-3-1-2-7-13(11)12(10)15/h1-5,7,9H,6,8H2
InChIKeySYINMFZSZKNPTQ-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.01
Rot. Bonds4

About 2-(4-oxoquinolizin-3-yl)ethyl formate

2-(4-oxoquinolizin-3-yl)ethyl formate (PubChem CID 175086067) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(4-oxoquinolizin-3-yl)ethyl formate.

Molecular Properties

Compound Name2-(4-oxoquinolizin-3-yl)ethyl formate
PubChem CID175086067
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(4-oxoquinolizin-3-yl)ethyl formate
SMILESO=COCCc1ccc2ccccn2c1=O
InChIInChI=1S/C12H11NO3/c14-9-16-8-6-10-4-5-11-3-1-2-7-13(11)12(10)15/h1-5,7,9H,6,8H2
InChIKeySYINMFZSZKNPTQ-UHFFFAOYSA-N
XLogP1.01
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinolizin-3-yl)ethyl formate?
The IUPAC name of 2-(4-oxoquinolizin-3-yl)ethyl formate (CID 175086067) is 2-(4-oxoquinolizin-3-yl)ethyl formate.
What is the SMILES notation for 2-(4-oxoquinolizin-3-yl)ethyl formate?
The canonical SMILES for 2-(4-oxoquinolizin-3-yl)ethyl formate is O=COCCc1ccc2ccccn2c1=O.
What is the InChIKey of 2-(4-oxoquinolizin-3-yl)ethyl formate?
The InChIKey is SYINMFZSZKNPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-9-16-8-6-10-4-5-11-3-1-2-7-13(11)12(10)15/h1-5,7,9H,6,8H2.
What are the key properties of 2-(4-oxoquinolizin-3-yl)ethyl formate?
2-(4-oxoquinolizin-3-yl)ethyl formate has a molecular weight of 217.22 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinolizin-3-yl)ethyl formate is sourced from PubChem (CID 175086067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).