9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one

C17H15NO4 — CID 3239210

IUPAC9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one
SMILESCOc1ccc2c(c1OC)C(=O)N1c3ccccc3COC21
InChIInChI=1S/C17H15NO4/c1-20-13-8-7-11-14(15(13)21-2)16(19)18-12-6-4-3-5-10(12)9-22-17(11)18/h3-8,17H,9H2,1-2H3
InChIKeyOFZDHHLXGXBNAA-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.89
Rot. Bonds2

About 9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one

9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one (PubChem CID 3239210) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one.

Molecular Properties

Compound Name9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one
PubChem CID3239210
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one
SMILESCOc1ccc2c(c1OC)C(=O)N1c3ccccc3COC21
InChIInChI=1S/C17H15NO4/c1-20-13-8-7-11-14(15(13)21-2)16(19)18-12-6-4-3-5-10(12)9-22-17(11)18/h3-8,17H,9H2,1-2H3
InChIKeyOFZDHHLXGXBNAA-UHFFFAOYSA-N
XLogP2.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one with MolForge

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Related Compounds

Oxyberberine
CID 11066
8-Oxopalmatine
CID 10926678
6,7-dimethoxy-2-(4-methylphenyl)-3H-isoindol-1-one
CID 759234
6-(4-Fluorophenyl)-9,10-dimethoxy-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
CID 659352
N-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide
CID 681912
6,7-Dimethoxy-2-(4-methoxyphenyl)isoindolin-1-one
CID 767108
2-(4-Hydroxyphenyl)-6,7-dimethoxyisoindolin-1-one
CID 777030
4-chloro-9,10-dimethoxy-5H-isoindolo[2,1-a][3,1]benzoxazine-5,11(6aH)-dione
CID 3241054
9,10-Dimethoxy-6-phenyl-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
CID 659111
6,7-Dimethoxy-2-(3-methylphenyl)-2,3-dihydro-1h-isoindol-1-one
CID 752122
N-[4-(6,7-dimethoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]acetamide
CID 776110
Oxoassoanine
CID 321919

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one?
The IUPAC name of 9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one (CID 3239210) is 9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one.
What is the SMILES notation for 9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one?
The canonical SMILES for 9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one is COc1ccc2c(c1OC)C(=O)N1c3ccccc3COC21.
What is the InChIKey of 9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one?
The InChIKey is OFZDHHLXGXBNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-20-13-8-7-11-14(15(13)21-2)16(19)18-12-6-4-3-5-10(12)9-22-17(11)18/h3-8,17H,9H2,1-2H3.
What are the key properties of 9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one?
9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one has a molecular weight of 297.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one is sourced from PubChem (CID 3239210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).