(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C17H16N2O5 — CID 66556574

IUPAC(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1cc(/C=C2\Oc3cccnc3NC2=O)cc(OC)c1OC
InChIInChI=1S/C17H16N2O5/c1-21-12-7-10(8-13(22-2)15(12)23-3)9-14-17(20)19-16-11(24-14)5-4-6-18-16/h4-9H,1-3H3,(H,18,19,20)/b14-9-
InChIKeyLGCXHQVYFKDATN-ZROIWOOFSA-N
MW328.32 g/mol
LogP2.48
Rot. Bonds4

About (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one

(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 66556574) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID66556574
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1cc(/C=C2\Oc3cccnc3NC2=O)cc(OC)c1OC
InChIInChI=1S/C17H16N2O5/c1-21-12-7-10(8-13(22-2)15(12)23-3)9-14-17(20)19-16-11(24-14)5-4-6-18-16/h4-9H,1-3H3,(H,18,19,20)/b14-9-
InChIKeyLGCXHQVYFKDATN-ZROIWOOFSA-N
XLogP2.48
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Related Compounds

(4E)-2-pyridin-3-yl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894561
(3E)-3-(pyridin-3-ylmethylidene)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-one
CID 66779255
6-(2-oxopropoxy)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 4835068
(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 760516
(4E)-2-pyridin-4-yl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108936738
2-(furan-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5124809
5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3100428
6-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 5266094
[(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 2-chlorobenzoate
CID 2009403
N-(1-hydroxypropan-2-yl)-2-[[3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide
CID 73399424
(4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6039777
(2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 66556918

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 66556574) is (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1cc(/C=C2\Oc3cccnc3NC2=O)cc(OC)c1OC.
What is the InChIKey of (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is LGCXHQVYFKDATN-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-21-12-7-10(8-13(22-2)15(12)23-3)9-14-17(20)19-16-11(24-14)5-4-6-18-16/h4-9H,1-3H3,(H,18,19,20)/b14-9-.
What are the key properties of (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 328.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 66556574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).