3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one

C18H12N2O2 — CID 70211988

IUPAC3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1c(O)ccc2ncccc12
InChIInChI=1S/C18H12N2O2/c21-17-8-7-15-11(5-3-9-19-15)13(17)10-14-12-4-1-2-6-16(12)20-18(14)22/h1-10,21H,(H,20,22)
InChIKeyMTKXBUKOYWHHNH-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.43
Rot. Bonds1

About 3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one

3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one (PubChem CID 70211988) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one
PubChem CID70211988
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1c(O)ccc2ncccc12
InChIInChI=1S/C18H12N2O2/c21-17-8-7-15-11(5-3-9-19-15)13(17)10-14-12-4-1-2-6-16(12)20-18(14)22/h1-10,21H,(H,20,22)
InChIKeyMTKXBUKOYWHHNH-UHFFFAOYSA-N
XLogP3.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
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-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one (CID 70211988) is 3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=Cc1c(O)ccc2ncccc12.
What is the InChIKey of 3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one?
The InChIKey is MTKXBUKOYWHHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-17-8-7-15-11(5-3-9-19-15)13(17)10-14-12-4-1-2-6-16(12)20-18(14)22/h1-10,21H,(H,20,22).
What are the key properties of 3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one?
3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one has a molecular weight of 288.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 70211988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).