4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride

C21H29Cl2N3O2 — CID 24844914

IUPAC4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
SMILESCCC1Oc2cccnc2N(C(CN(CC)CC)c2ccccc2)C1=O.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-4-18-21(25)24(20-19(26-18)13-10-14-22-20)17(15-23(5-2)6-3)16-11-8-7-9-12-16;;/h7-14,17-18H,4-6,15H2,1-3H3;2*1H
InChIKeyPWPJCARNLNGSBO-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.51
Rot. Bonds7

About 4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride

4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride (PubChem CID 24844914) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride.

Molecular Properties

Compound Name4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
PubChem CID24844914
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC Name4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
SMILESCCC1Oc2cccnc2N(C(CN(CC)CC)c2ccccc2)C1=O.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-4-18-21(25)24(20-19(26-18)13-10-14-22-20)17(15-23(5-2)6-3)16-11-8-7-9-12-16;;/h7-14,17-18H,4-6,15H2,1-3H3;2*1H
InChIKeyPWPJCARNLNGSBO-UHFFFAOYSA-N
XLogP4.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

Rbi 257
CID 5041
U 101958
CID 5615
N-benzyl-2-(4-methylphenoxy)-N-pyridin-2-ylacetamide
CID 698463
1-[2-(2-Methylphenoxy)propanoyl]-4-(2-pyridinyl)piperazine
CID 2976964
1-(4-Benzylpiperidin-1-yl)-2-(2-nitropyridin-3-yl)oxyethanone
CID 3300095
N-(2-methoxybenzyl)-2-methyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 3847875
U-101958 maleate
CID 11957730
7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 54590901
6-((2R,5R)-2-methyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592009
6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592010
(R)-6-(2,2-dimethyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592011
7-((2R,5R)-2-methyl-5-phenylmorpholino)-1H-pyrido[3,4-b][1,4]oxazin-2(3H)-one
CID 54592088

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?
The IUPAC name of 4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride (CID 24844914) is 4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride.
What is the SMILES notation for 4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?
The canonical SMILES for 4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride is CCC1Oc2cccnc2N(C(CN(CC)CC)c2ccccc2)C1=O.Cl.Cl.
What is the InChIKey of 4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?
The InChIKey is PWPJCARNLNGSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.2ClH/c1-4-18-21(25)24(20-19(26-18)13-10-14-22-20)17(15-23(5-2)6-3)16-11-8-7-9-12-16;;/h7-14,17-18H,4-6,15H2,1-3H3;2*1H.
What are the key properties of 4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?
4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride is sourced from PubChem (CID 24844914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).