2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide

C18H19N3O3 — CID 126457874

IUPAC2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C18H19N3O3/c1-2-10-19-15(22)12-21-17-14(9-6-11-20-17)24-16(18(21)23)13-7-4-3-5-8-13/h3-9,11,16H,2,10,12H2,1H3,(H,19,22)
InChIKeyQOAQWWDGSNZVET-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.07
Rot. Bonds5

About 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide

2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide (PubChem CID 126457874) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide
PubChem CID126457874
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C18H19N3O3/c1-2-10-19-15(22)12-21-17-14(9-6-11-20-17)24-16(18(21)23)13-7-4-3-5-8-13/h3-9,11,16H,2,10,12H2,1H3,(H,19,22)
InChIKeyQOAQWWDGSNZVET-UHFFFAOYSA-N
XLogP2.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide?
The IUPAC name of 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide (CID 126457874) is 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide is CCCNC(=O)CN1C(=O)C(c2ccccc2)Oc2cccnc21.
What is the InChIKey of 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide?
The InChIKey is QOAQWWDGSNZVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-10-19-15(22)12-21-17-14(9-6-11-20-17)24-16(18(21)23)13-7-4-3-5-8-13/h3-9,11,16H,2,10,12H2,1H3,(H,19,22).
What are the key properties of 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide?
2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide has a molecular weight of 325.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide is sourced from PubChem (CID 126457874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).