4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one

C17H12N2O4 — CID 139221583

IUPAC4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one
SMILESCOc1ccc(C2=NN=C3C(=O)c4ccccc4C3(O)O2)cc1
InChIInChI=1S/C17H12N2O4/c1-22-11-8-6-10(7-9-11)16-19-18-15-14(20)12-4-2-3-5-13(12)17(15,21)23-16/h2-9,21H,1H3
InChIKeyMDGVOIAXTZFFOK-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.87
Rot. Bonds2

About 4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one

4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one (PubChem CID 139221583) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one.

Molecular Properties

Compound Name4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one
PubChem CID139221583
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one
SMILESCOc1ccc(C2=NN=C3C(=O)c4ccccc4C3(O)O2)cc1
InChIInChI=1S/C17H12N2O4/c1-22-11-8-6-10(7-9-11)16-19-18-15-14(20)12-4-2-3-5-13(12)17(15,21)23-16/h2-9,21H,1H3
InChIKeyMDGVOIAXTZFFOK-UHFFFAOYSA-N
XLogP1.87
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one?
The IUPAC name of 4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one (CID 139221583) is 4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one.
What is the SMILES notation for 4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one?
The canonical SMILES for 4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one is COc1ccc(C2=NN=C3C(=O)c4ccccc4C3(O)O2)cc1.
What is the InChIKey of 4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one?
The InChIKey is MDGVOIAXTZFFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c1-22-11-8-6-10(7-9-11)16-19-18-15-14(20)12-4-2-3-5-13(12)17(15,21)23-16/h2-9,21H,1H3.
What are the key properties of 4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one?
4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one has a molecular weight of 308.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-hydroxy-3-(4-methoxyphenyl)indeno[2,3-e][1,3,4]oxadiazin-9-one is sourced from PubChem (CID 139221583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).