4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one

C17H19N3O2 — CID 3070297

IUPAC4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN(C)CCN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C17H19N3O2/c1-19(2)11-12-20-16-14(9-6-10-18-16)22-15(17(20)21)13-7-4-3-5-8-13/h3-10,15H,11-12H2,1-2H3
InChIKeyDLZOYDGEMZVGPF-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.11
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one

4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 3070297) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID3070297
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN(C)CCN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C17H19N3O2/c1-19(2)11-12-20-16-14(9-6-10-18-16)22-15(17(20)21)13-7-4-3-5-8-13/h3-10,15H,11-12H2,1-2H3
InChIKeyDLZOYDGEMZVGPF-UHFFFAOYSA-N
XLogP2.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[11C]Jway
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U 101958
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6-((2R,5R)-2-methyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
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N-benzyl-2-(4-methylphenoxy)-N-pyridin-2-ylacetamide
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(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
1-[2-(2-Methylphenoxy)propanoyl]-4-(2-pyridinyl)piperazine
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N-(2-methoxybenzyl)-2-methyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 3847875

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one (CID 3070297) is 4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one is CN(C)CCN1C(=O)C(c2ccccc2)Oc2cccnc21.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is DLZOYDGEMZVGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19(2)11-12-20-16-14(9-6-10-18-16)22-15(17(20)21)13-7-4-3-5-8-13/h3-10,15H,11-12H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one?
4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 297.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 3070297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).