(3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one

C24H18N2O2 — CID 58662740

IUPAC(3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one
SMILESCOc1cccc(-c2ccc3c(c2)NC(=O)/C3=C/c2cccc3[nH]ccc23)c1
InChIInChI=1S/C24H18N2O2/c1-28-18-6-2-4-15(12-18)16-8-9-20-21(24(27)26-23(20)14-16)13-17-5-3-7-22-19(17)10-11-25-22/h2-14,25H,1H3,(H,26,27)/b21-13+
InChIKeySNQGLACHTASJIU-FYJGNVAPSA-N
MW366.42 g/mol
LogP5.34
Rot. Bonds3

About (3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one

(3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one (PubChem CID 58662740) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is (3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one
PubChem CID58662740
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name(3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one
SMILESCOc1cccc(-c2ccc3c(c2)NC(=O)/C3=C/c2cccc3[nH]ccc23)c1
InChIInChI=1S/C24H18N2O2/c1-28-18-6-2-4-15(12-18)16-8-9-20-21(24(27)26-23(20)14-16)13-17-5-3-7-22-19(17)10-11-25-22/h2-14,25H,1H3,(H,26,27)/b21-13+
InChIKeySNQGLACHTASJIU-FYJGNVAPSA-N
XLogP5.34
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one?
The IUPAC name of (3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one (CID 58662740) is (3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one?
The canonical SMILES for (3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one is COc1cccc(-c2ccc3c(c2)NC(=O)/C3=C/c2cccc3[nH]ccc23)c1.
What is the InChIKey of (3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one?
The InChIKey is SNQGLACHTASJIU-FYJGNVAPSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-28-18-6-2-4-15(12-18)16-8-9-20-21(24(27)26-23(20)14-16)13-17-5-3-7-22-19(17)10-11-25-22/h2-14,25H,1H3,(H,26,27)/b21-13+.
What are the key properties of (3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one?
(3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one has a molecular weight of 366.42 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 58662740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).