(3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one

C27H25NO7 — CID 127033588

IUPAC(3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\c1cc(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc1OC)C(=O)N2
InChIInChI=1S/C27H25NO7/c1-31-18-7-8-21-19(14-18)20(27(30)28-21)11-16-10-15(6-9-22(16)32-2)25(29)17-12-23(33-3)26(35-5)24(13-17)34-4/h6-14H,1-5H3,(H,28,30)/b20-11+
InChIKeyLIXLSIIYLVFCHM-RGVLZGJSSA-N
MW475.50 g/mol
LogP4.45
Rot. Bonds8

About (3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one

(3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one (PubChem CID 127033588) has the molecular formula C27H25NO7 and a molecular weight of 475.50 g/mol. Its IUPAC name is (3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one
PubChem CID127033588
Molecular FormulaC27H25NO7
Molecular Weight475.50 g/mol
Exact Mass475.16
IUPAC Name(3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\c1cc(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc1OC)C(=O)N2
InChIInChI=1S/C27H25NO7/c1-31-18-7-8-21-19(14-18)20(27(30)28-21)11-16-10-15(6-9-22(16)32-2)25(29)17-12-23(33-3)26(35-5)24(13-17)34-4/h6-14H,1-5H3,(H,28,30)/b20-11+
InChIKeyLIXLSIIYLVFCHM-RGVLZGJSSA-N
XLogP4.45
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Aristolactam
CID 96710
Aristolactam Aiiia
CID 10356352
IC261
CID 5288600
1-Hydroxy-2,3-dimethoxydibenz(cd,f)indol-4(5H)-one
CID 14039008
3,4,5-Trimethoxybenzanilide
CID 305103
1,2,3-Trimethoxydibenz(cd,f)indol-4(5H)-one
CID 10881419
3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3674
(3Z)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 5353678
(3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 11544661
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
Cepharanone B
CID 162739

Frequently Asked Questions

What is the IUPAC name of (3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one (CID 127033588) is (3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one is COc1ccc2c(c1)/C(=C\c1cc(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc1OC)C(=O)N2.
What is the InChIKey of (3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is LIXLSIIYLVFCHM-RGVLZGJSSA-N. The full InChI is InChI=1S/C27H25NO7/c1-31-18-7-8-21-19(14-18)20(27(30)28-21)11-16-10-15(6-9-22(16)32-2)25(29)17-12-23(33-3)26(35-5)24(13-17)34-4/h6-14H,1-5H3,(H,28,30)/b20-11+.
What are the key properties of (3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one?
(3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 475.50 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methoxy-3-[[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 127033588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).