(2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one

C24H15NO2 — CID 90676240

IUPAC(2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(-c3cnc4ccccc4c3)cc2)Oc2ccccc21
InChIInChI=1S/C24H15NO2/c26-24-20-6-2-4-8-22(20)27-23(24)13-16-9-11-17(12-10-16)19-14-18-5-1-3-7-21(18)25-15-19/h1-15H/b23-13-
InChIKeyQPXIQRIHQUIQNC-QRVIBDJDSA-N
MW349.39 g/mol
LogP5.52
Rot. Bonds2

About (2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one

(2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 90676240) has the molecular formula C24H15NO2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one
PubChem CID90676240
Molecular FormulaC24H15NO2
Molecular Weight349.39 g/mol
Exact Mass349.11
IUPAC Name(2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(-c3cnc4ccccc4c3)cc2)Oc2ccccc21
InChIInChI=1S/C24H15NO2/c26-24-20-6-2-4-8-22(20)27-23(24)13-16-9-11-17(12-10-16)19-14-18-5-1-3-7-21(18)25-15-19/h1-15H/b23-13-
InChIKeyQPXIQRIHQUIQNC-QRVIBDJDSA-N
XLogP5.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.39
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one (CID 90676240) is (2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2ccc(-c3cnc4ccccc4c3)cc2)Oc2ccccc21.
What is the InChIKey of (2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is QPXIQRIHQUIQNC-QRVIBDJDSA-N. The full InChI is InChI=1S/C24H15NO2/c26-24-20-6-2-4-8-22(20)27-23(24)13-16-9-11-17(12-10-16)19-14-18-5-1-3-7-21(18)25-15-19/h1-15H/b23-13-.
What are the key properties of (2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 349.39 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 90676240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).