(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one

C25H20N2O3 — CID 10287456

IUPAC(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2c[nH]c3c(C)cccc23)ccc1O
InChIInChI=1S/C25H20N2O3/c1-14-4-3-5-18-17(13-26-24(14)18)10-20-19-8-6-15(11-21(19)27-25(20)29)16-7-9-22(28)23(12-16)30-2/h3-13,26,28H,1-2H3,(H,27,29)/b20-10-
InChIKeyNUQXEQOUSDHNEY-JMIUGGIZSA-N
MW396.45 g/mol
LogP5.35
Rot. Bonds3

About (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one

(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one (PubChem CID 10287456) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one
PubChem CID10287456
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2c[nH]c3c(C)cccc23)ccc1O
InChIInChI=1S/C25H20N2O3/c1-14-4-3-5-18-17(13-26-24(14)18)10-20-19-8-6-15(11-21(19)27-25(20)29)16-7-9-22(28)23(12-16)30-2/h3-13,26,28H,1-2H3,(H,27,29)/b20-10-
InChIKeyNUQXEQOUSDHNEY-JMIUGGIZSA-N
XLogP5.35
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one (CID 10287456) is (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one is COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2c[nH]c3c(C)cccc23)ccc1O.
What is the InChIKey of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one?
The InChIKey is NUQXEQOUSDHNEY-JMIUGGIZSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-14-4-3-5-18-17(13-26-24(14)18)10-20-19-8-6-15(11-21(19)27-25(20)29)16-7-9-22(28)23(12-16)30-2/h3-13,26,28H,1-2H3,(H,27,29)/b20-10-.
What are the key properties of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one?
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one has a molecular weight of 396.45 g/mol, XLogP of 5.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 10287456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).