3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one

C26H20N2O2 — CID 69454001

IUPAC3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESCC(Oc1ccc(C=C2C(=O)Nc3ccccc32)cc1)c1ccnc2ccccc12
InChIInChI=1S/C26H20N2O2/c1-17(20-14-15-27-24-8-4-2-6-21(20)24)30-19-12-10-18(11-13-19)16-23-22-7-3-5-9-25(22)28-26(23)29/h2-17H,1H3,(H,28,29)
InChIKeyJMNNGENTDWTFGR-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.87
Rot. Bonds4

About 3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one

3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one (PubChem CID 69454001) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one
PubChem CID69454001
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESCC(Oc1ccc(C=C2C(=O)Nc3ccccc32)cc1)c1ccnc2ccccc12
InChIInChI=1S/C26H20N2O2/c1-17(20-14-15-27-24-8-4-2-6-21(20)24)30-19-12-10-18(11-13-19)16-23-22-7-3-5-9-25(22)28-26(23)29/h2-17H,1H3,(H,28,29)
InChIKeyJMNNGENTDWTFGR-UHFFFAOYSA-N
XLogP5.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of 3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one (CID 69454001) is 3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one is CC(Oc1ccc(C=C2C(=O)Nc3ccccc32)cc1)c1ccnc2ccccc12.
What is the InChIKey of 3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is JMNNGENTDWTFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-17(20-14-15-27-24-8-4-2-6-21(20)24)30-19-12-10-18(11-13-19)16-23-22-7-3-5-9-25(22)28-26(23)29/h2-17H,1H3,(H,28,29).
What are the key properties of 3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 392.46 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-quinolin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 69454001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).