3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride

C16H24ClNO3 — CID 90674181

IUPAC3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCOc1ccc(C2CN3CCCCC3CO2)cc1OC.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-18-14-7-6-12(9-15(14)19-2)16-10-17-8-4-3-5-13(17)11-20-16;/h6-7,9,13,16H,3-5,8,10-11H2,1-2H3;1H
InChIKeyPDQVGNZHFGWBOF-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.05
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride

3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride (PubChem CID 90674181) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride
PubChem CID90674181
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Name3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCOc1ccc(C2CN3CCCCC3CO2)cc1OC.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-18-14-7-6-12(9-15(14)19-2)16-10-17-8-4-3-5-13(17)11-20-16;/h6-7,9,13,16H,3-5,8,10-11H2,1-2H3;1H
InChIKeyPDQVGNZHFGWBOF-UHFFFAOYSA-N
XLogP3.05
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride 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 3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride (CID 90674181) is 3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride is COc1ccc(C2CN3CCCCC3CO2)cc1OC.Cl.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
The InChIKey is PDQVGNZHFGWBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-18-14-7-6-12(9-15(14)19-2)16-10-17-8-4-3-5-13(17)11-20-16;/h6-7,9,13,16H,3-5,8,10-11H2,1-2H3;1H.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride is sourced from PubChem (CID 90674181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).