8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one

C18H14N2O4 — CID 11695477

IUPAC8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one
SMILESCOc1cccc(-c2noc(=O)n3c2cc2cc(OC)ccc23)c1
InChIInChI=1S/C18H14N2O4/c1-22-13-5-3-4-11(8-13)17-16-10-12-9-14(23-2)6-7-15(12)20(16)18(21)24-19-17/h3-10H,1-2H3
InChIKeyPXQQGJUDILDDEB-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.12
Rot. Bonds3

About 8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one

8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one (PubChem CID 11695477) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one.

Molecular Properties

Compound Name8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one
PubChem CID11695477
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one
SMILESCOc1cccc(-c2noc(=O)n3c2cc2cc(OC)ccc23)c1
InChIInChI=1S/C18H14N2O4/c1-22-13-5-3-4-11(8-13)17-16-10-12-9-14(23-2)6-7-15(12)20(16)18(21)24-19-17/h3-10H,1-2H3
InChIKeyPXQQGJUDILDDEB-UHFFFAOYSA-N
XLogP3.12
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one
CID 11702027
1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one
CID 11551597
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 174684949
9-methoxy-6-phenylindolo[1,2-a]quinoline
CID 71507368
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326
3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
3-(3-methoxyphenyl)-1,2-oxazole-4-carbaldehyde
CID 82362919
3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647307
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one?
The IUPAC name of 8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one (CID 11695477) is 8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one.
What is the SMILES notation for 8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one?
The canonical SMILES for 8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one is COc1cccc(-c2noc(=O)n3c2cc2cc(OC)ccc23)c1.
What is the InChIKey of 8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one?
The InChIKey is PXQQGJUDILDDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-22-13-5-3-4-11(8-13)17-16-10-12-9-14(23-2)6-7-15(12)20(16)18(21)24-19-17/h3-10H,1-2H3.
What are the key properties of 8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one?
8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one has a molecular weight of 322.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one is sourced from PubChem (CID 11695477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).