4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine

C13H20N2O — CID 155709873

IUPAC4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine
SMILESCCN1CCCCc2cccnc2OCC1
InChIInChI=1S/C13H20N2O/c1-2-15-9-4-3-6-12-7-5-8-14-13(12)16-11-10-15/h5,7-8H,2-4,6,9-11H2,1H3
InChIKeyWSBVAKCJBKEPAP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.12
Rot. Bonds1

About 4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine

4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine (PubChem CID 155709873) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine.

Molecular Properties

Compound Name4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine
PubChem CID155709873
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine
SMILESCCN1CCCCc2cccnc2OCC1
InChIInChI=1S/C13H20N2O/c1-2-15-9-4-3-6-12-7-5-8-14-13(12)16-11-10-15/h5,7-8H,2-4,6,9-11H2,1H3
InChIKeyWSBVAKCJBKEPAP-UHFFFAOYSA-N
XLogP2.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine?
The IUPAC name of 4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine (CID 155709873) is 4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine.
What is the SMILES notation for 4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine?
The canonical SMILES for 4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine is CCN1CCCCc2cccnc2OCC1.
What is the InChIKey of 4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine?
The InChIKey is WSBVAKCJBKEPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-15-9-4-3-6-12-7-5-8-14-13(12)16-11-10-15/h5,7-8H,2-4,6,9-11H2,1H3.
What are the key properties of 4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine?
4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine has a molecular weight of 220.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,5,6,7,8-hexahydropyrido[3,2-i][1,4]oxazecine is sourced from PubChem (CID 155709873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).