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

C19H28Cl3N3O — CID 56843286

IUPACN,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride
SMILESCCN(CC)CCN1c2ncccc2OCC1c1ccccc1.Cl.Cl.Cl
InChIInChI=1S/C19H25N3O.3ClH/c1-3-21(4-2)13-14-22-17(16-9-6-5-7-10-16)15-23-18-11-8-12-20-19(18)22;;;/h5-12,17H,3-4,13-15H2,1-2H3;3*1H
InChIKeyKMVLWEKHTIIJAA-UHFFFAOYSA-N
MW420.81 g/mol
LogP4.63
Rot. Bonds6

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

N,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride (PubChem CID 56843286) has the molecular formula C19H28Cl3N3O and a molecular weight of 420.81 g/mol. Its IUPAC name is N,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride
PubChem CID56843286
Molecular FormulaC19H28Cl3N3O
Molecular Weight420.81 g/mol
Exact Mass419.13
IUPAC NameN,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride
SMILESCCN(CC)CCN1c2ncccc2OCC1c1ccccc1.Cl.Cl.Cl
InChIInChI=1S/C19H25N3O.3ClH/c1-3-21(4-2)13-14-22-17(16-9-6-5-7-10-16)15-23-18-11-8-12-20-19(18)22;;;/h5-12,17H,3-4,13-15H2,1-2H3;3*1H
InChIKeyKMVLWEKHTIIJAA-UHFFFAOYSA-N
XLogP4.63
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.81
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride?
The IUPAC name of N,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride (CID 56843286) is N,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride.
What is the SMILES notation for N,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride?
The canonical SMILES for N,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride is CCN(CC)CCN1c2ncccc2OCC1c1ccccc1.Cl.Cl.Cl.
What is the InChIKey of N,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride?
The InChIKey is KMVLWEKHTIIJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.3ClH/c1-3-21(4-2)13-14-22-17(16-9-6-5-7-10-16)15-23-18-11-8-12-20-19(18)22;;;/h5-12,17H,3-4,13-15H2,1-2H3;3*1H.
What are the key properties of N,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride?
N,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride has a molecular weight of 420.81 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride is sourced from PubChem (CID 56843286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).