2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride

C13H24Cl3N3O — CID 3070857

IUPAC2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride
SMILESCCN(CC)CCN1CCOc2cccnc21.Cl.Cl.Cl
InChIInChI=1S/C13H21N3O.3ClH/c1-3-15(4-2)8-9-16-10-11-17-12-6-5-7-14-13(12)16;;;/h5-7H,3-4,8-11H2,1-2H3;3*1H
InChIKeyORVALNNVEQYSQL-UHFFFAOYSA-N
MW344.71 g/mol
LogP2.89
Rot. Bonds5

About 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride

2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride (PubChem CID 3070857) has the molecular formula C13H24Cl3N3O and a molecular weight of 344.71 g/mol. Its IUPAC name is 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride
PubChem CID3070857
Molecular FormulaC13H24Cl3N3O
Molecular Weight344.71 g/mol
Exact Mass343.10
IUPAC Name2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride
SMILESCCN(CC)CCN1CCOc2cccnc21.Cl.Cl.Cl
InChIInChI=1S/C13H21N3O.3ClH/c1-3-15(4-2)8-9-16-10-11-17-12-6-5-7-14-13(12)16;;;/h5-7H,3-4,8-11H2,1-2H3;3*1H
InChIKeyORVALNNVEQYSQL-UHFFFAOYSA-N
XLogP2.89
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.71
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride?
The IUPAC name of 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride (CID 3070857) is 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride.
What is the SMILES notation for 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride?
The canonical SMILES for 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride is CCN(CC)CCN1CCOc2cccnc21.Cl.Cl.Cl.
What is the InChIKey of 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride?
The InChIKey is ORVALNNVEQYSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.3ClH/c1-3-15(4-2)8-9-16-10-11-17-12-6-5-7-14-13(12)16;;;/h5-7H,3-4,8-11H2,1-2H3;3*1H.
What are the key properties of 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride?
2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride has a molecular weight of 344.71 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine;trihydrochloride is sourced from PubChem (CID 3070857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).