5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one

C18H15Br2NO4 — CID 57016715

IUPAC5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(C=C2C(=O)Nc3c(Br)cc(Br)cc32)c(OC)c1OC
InChIInChI=1S/C18H15Br2NO4/c1-23-14-5-4-9(16(24-2)17(14)25-3)6-12-11-7-10(19)8-13(20)15(11)21-18(12)22/h4-8H,1-3H3,(H,21,22)
InChIKeyGDAIFNONGVMGBE-UHFFFAOYSA-N
MW469.13 g/mol
LogP4.73
Rot. Bonds4

About 5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one

5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 57016715) has the molecular formula C18H15Br2NO4 and a molecular weight of 469.13 g/mol. Its IUPAC name is 5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID57016715
Molecular FormulaC18H15Br2NO4
Molecular Weight469.13 g/mol
Exact Mass466.94
IUPAC Name5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(C=C2C(=O)Nc3c(Br)cc(Br)cc32)c(OC)c1OC
InChIInChI=1S/C18H15Br2NO4/c1-23-14-5-4-9(16(24-2)17(14)25-3)6-12-11-7-10(19)8-13(20)15(11)21-18(12)22/h4-8H,1-3H3,(H,21,22)
InChIKeyGDAIFNONGVMGBE-UHFFFAOYSA-N
XLogP4.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.13
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5,7-dibromo-3-[(3-bromo-2-hydroxy-5-methoxyphenyl)methylidene]-1H-indol-2-one
CID 57154129
5,7-dibromo-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 57117105
(3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one
CID 26366641
5,7-dibromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 57043328
7-bromo-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 69453878
2,2-dimethyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-dioxane-4,6-dione
CID 2733006
5,7-dibromo-3-[(2,4,6-trifluorophenyl)methylidene]-1H-indol-2-one
CID 57096944
5,7-dibromo-3-[[4-[3-(dimethylamino)propoxy]phenyl]methylidene]-1H-indol-2-one
CID 57132554
5,7-dibromo-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one
CID 57053180
3-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 3379285
5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2299862
3-[(5-bromo-2-methoxyphenyl)methylidene]-6-chloro-1H-indol-2-one
CID 5012571

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one (CID 57016715) is 5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one is COc1ccc(C=C2C(=O)Nc3c(Br)cc(Br)cc32)c(OC)c1OC.
What is the InChIKey of 5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is GDAIFNONGVMGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2NO4/c1-23-14-5-4-9(16(24-2)17(14)25-3)6-12-11-7-10(19)8-13(20)15(11)21-18(12)22/h4-8H,1-3H3,(H,21,22).
What are the key properties of 5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one?
5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 469.13 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 57016715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).