8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one

C17H12N2O3 — CID 11702027

IUPAC8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one
SMILESCOc1ccc2c(c1)cc1c(-c3ccccc3)noc(=O)n12
InChIInChI=1S/C17H12N2O3/c1-21-13-7-8-14-12(9-13)10-15-16(11-5-3-2-4-6-11)18-22-17(20)19(14)15/h2-10H,1H3
InChIKeyWMPCDWJUSMIMMN-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.12
Rot. Bonds2

About 8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one

8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one (PubChem CID 11702027) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one.

Molecular Properties

Compound Name8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one
PubChem CID11702027
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one
SMILESCOc1ccc2c(c1)cc1c(-c3ccccc3)noc(=O)n12
InChIInChI=1S/C17H12N2O3/c1-21-13-7-8-14-12(9-13)10-15-16(11-5-3-2-4-6-11)18-22-17(20)19(14)15/h2-10H,1H3
InChIKeyWMPCDWJUSMIMMN-UHFFFAOYSA-N
XLogP3.12
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one
CID 11695477
1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one
CID 11551597
9-methoxy-6-phenylindolo[1,2-a]quinoline
CID 71507368
6-methoxy-2-phenylquinoline-3-carbaldehyde
CID 833679
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one
CID 139215507
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one
CID 137252054
3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine
CID 15040792
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole
CID 172991391
9-methoxyindolo[1,2-a]quinoxaline
CID 46177682
2-methoxy-6-phenylnaphthalene
CID 11253308

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one?
The IUPAC name of 8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one (CID 11702027) is 8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one.
What is the SMILES notation for 8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one?
The canonical SMILES for 8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one is COc1ccc2c(c1)cc1c(-c3ccccc3)noc(=O)n12.
What is the InChIKey of 8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one?
The InChIKey is WMPCDWJUSMIMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-21-13-7-8-14-12(9-13)10-15-16(11-5-3-2-4-6-11)18-22-17(20)19(14)15/h2-10H,1H3.
What are the key properties of 8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one?
8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one has a molecular weight of 292.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one is sourced from PubChem (CID 11702027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).