6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione

C17H13NO6 — CID 2733023

IUPAC6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione
SMILESCOc1cc2c(cc1OC)N1C(=O)c3ccccc3C1(O)OC2=O
InChIInChI=1S/C17H13NO6/c1-22-13-7-10-12(8-14(13)23-2)18-15(19)9-5-3-4-6-11(9)17(18,21)24-16(10)20/h3-8,21H,1-2H3
InChIKeyMEVSHIRSXIKWAA-UHFFFAOYSA-N
MW327.29 g/mol
LogP1.64
Rot. Bonds2

About 6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione

6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione (PubChem CID 2733023) has the molecular formula C17H13NO6 and a molecular weight of 327.29 g/mol. Its IUPAC name is 6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione.

Molecular Properties

Compound Name6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione
PubChem CID2733023
Molecular FormulaC17H13NO6
Molecular Weight327.29 g/mol
Exact Mass327.07
IUPAC Name6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione
SMILESCOc1cc2c(cc1OC)N1C(=O)c3ccccc3C1(O)OC2=O
InChIInChI=1S/C17H13NO6/c1-22-13-7-10-12(8-14(13)23-2)18-15(19)9-5-3-4-6-11(9)17(18,21)24-16(10)20/h3-8,21H,1-2H3
InChIKeyMEVSHIRSXIKWAA-UHFFFAOYSA-N
XLogP1.64
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6aR)-6a-hydroxy-3-methylisoindolo[2,1-a][3,1]benzoxazine-5,11-dione
CID 6925503
(6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione
CID 710315
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one
CID 54425395
3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one
CID 129396733
2,3-dimethoxy-9,9-dimethylfluorene
CID 134997139
[4-[2-(4-methoxyphenyl)-3,3'-dioxo-1,1'-spirobi[isoindole]-2'-yl]phenyl] acetate
CID 89397450
3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
(12bR)-12b-hydroxy-1,4-dimethoxy-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
CID 139190761
2-benzoyl-3-hydroxy-5,6-dimethoxy-3-phenylisoindol-1-one
CID 169084255
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
2'-benzyl-6',7'-dimethoxyspiro[furo[3,4-f][1,3]benzodioxole-7,3'-isoquinoline]-1',4',5-trione
CID 10504657
3-amino-1-hydroxy-5,6-dimethoxy-2,1-benzoxazole-3-carboxylic acid
CID 101052005

Frequently Asked Questions

What is the IUPAC name of 6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione?
The IUPAC name of 6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione (CID 2733023) is 6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione.
What is the SMILES notation for 6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione?
The canonical SMILES for 6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione is COc1cc2c(cc1OC)N1C(=O)c3ccccc3C1(O)OC2=O.
What is the InChIKey of 6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione?
The InChIKey is MEVSHIRSXIKWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO6/c1-22-13-7-10-12(8-14(13)23-2)18-15(19)9-5-3-4-6-11(9)17(18,21)24-16(10)20/h3-8,21H,1-2H3.
What are the key properties of 6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione?
6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione has a molecular weight of 327.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione is sourced from PubChem (CID 2733023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).