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

C30H19NO2 — CID 90676251

IUPAC(2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccc(-c3cccc(-c4cnc5ccccc5c4)c3)c2)Oc2ccccc21
InChIInChI=1S/C30H19NO2/c32-30-26-12-2-4-14-28(26)33-29(30)16-20-7-5-9-21(15-20)22-10-6-11-23(17-22)25-18-24-8-1-3-13-27(24)31-19-25/h1-19H/b29-16-
InChIKeyOCSIGHAMAFISFP-MWLSYYOVSA-N
MW425.49 g/mol
LogP7.18
Rot. Bonds3

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

(2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one (PubChem CID 90676251) has the molecular formula C30H19NO2 and a molecular weight of 425.49 g/mol. Its IUPAC name is (2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one
PubChem CID90676251
Molecular FormulaC30H19NO2
Molecular Weight425.49 g/mol
Exact Mass425.14
IUPAC Name(2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccc(-c3cccc(-c4cnc5ccccc5c4)c3)c2)Oc2ccccc21
InChIInChI=1S/C30H19NO2/c32-30-26-12-2-4-14-28(26)33-29(30)16-20-7-5-9-21(15-20)22-10-6-11-23(17-22)25-18-24-8-1-3-13-27(24)31-19-25/h1-19H/b29-16-
InChIKeyOCSIGHAMAFISFP-MWLSYYOVSA-N
XLogP7.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 57.18
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-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one (CID 90676251) is (2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2cccc(-c3cccc(-c4cnc5ccccc5c4)c3)c2)Oc2ccccc21.
What is the InChIKey of (2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one?
The InChIKey is OCSIGHAMAFISFP-MWLSYYOVSA-N. The full InChI is InChI=1S/C30H19NO2/c32-30-26-12-2-4-14-28(26)33-29(30)16-20-7-5-9-21(15-20)22-10-6-11-23(17-22)25-18-24-8-1-3-13-27(24)31-19-25/h1-19H/b29-16-.
What are the key properties of (2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one?
(2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one has a molecular weight of 425.49 g/mol, XLogP of 7.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 90676251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).