(2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one

C22H14N2O4 — CID 46885534

IUPAC(2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2c(-c3ccccn3)[nH]c3ccccc23)Oc2cc(O)cc(O)c21
InChIInChI=1S/C22H14N2O4/c25-12-9-17(26)20-18(10-12)28-19(22(20)27)11-14-13-5-1-2-6-15(13)24-21(14)16-7-3-4-8-23-16/h1-11,24-26H/b19-11-
InChIKeyHGJGUYNOVGVHDX-ODLFYWEKSA-N
MW370.36 g/mol
LogP4.26
Rot. Bonds2

About (2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one

(2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one (PubChem CID 46885534) has the molecular formula C22H14N2O4 and a molecular weight of 370.36 g/mol. Its IUPAC name is (2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
PubChem CID46885534
Molecular FormulaC22H14N2O4
Molecular Weight370.36 g/mol
Exact Mass370.10
IUPAC Name(2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2c(-c3ccccn3)[nH]c3ccccc23)Oc2cc(O)cc(O)c21
InChIInChI=1S/C22H14N2O4/c25-12-9-17(26)20-18(10-12)28-19(22(20)27)11-14-13-5-1-2-6-15(13)24-21(14)16-7-3-4-8-23-16/h1-11,24-26H/b19-11-
InChIKeyHGJGUYNOVGVHDX-ODLFYWEKSA-N
XLogP4.26
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one (CID 46885534) is (2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2c(-c3ccccn3)[nH]c3ccccc23)Oc2cc(O)cc(O)c21.
What is the InChIKey of (2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one?
The InChIKey is HGJGUYNOVGVHDX-ODLFYWEKSA-N. The full InChI is InChI=1S/C22H14N2O4/c25-12-9-17(26)20-18(10-12)28-19(22(20)27)11-14-13-5-1-2-6-15(13)24-21(14)16-7-3-4-8-23-16/h1-11,24-26H/b19-11-.
What are the key properties of (2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one?
(2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 370.36 g/mol, XLogP of 4.26, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4,6-dihydroxy-2-[(2-pyridin-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 46885534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).