(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione

C22H17NO3 — CID 6214807

IUPAC(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
SMILESCc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)o1
InChIInChI=1S/C22H17NO3/c1-14-7-3-6-10-20(14)23-21(24)18-9-5-4-8-17(18)19(22(23)25)13-16-12-11-15(2)26-16/h3-13H,1-2H3/b19-13-
InChIKeyXIQBNQXPOCFIBI-UYRXBGFRSA-N
MW343.38 g/mol
LogP4.62
Rot. Bonds2

About (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione

(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione (PubChem CID 6214807) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione.

Molecular Properties

Compound Name(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
PubChem CID6214807
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
SMILESCc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)o1
InChIInChI=1S/C22H17NO3/c1-14-7-3-6-10-20(14)23-21(24)18-9-5-4-8-17(18)19(22(23)25)13-16-12-11-15(2)26-16/h3-13H,1-2H3/b19-13-
InChIKeyXIQBNQXPOCFIBI-UYRXBGFRSA-N
XLogP4.62
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione 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 (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione?
The IUPAC name of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione (CID 6214807) is (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione.
What is the SMILES notation for (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione?
The canonical SMILES for (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione is Cc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)o1.
What is the InChIKey of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione?
The InChIKey is XIQBNQXPOCFIBI-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H17NO3/c1-14-7-3-6-10-20(14)23-21(24)18-9-5-4-8-17(18)19(22(23)25)13-16-12-11-15(2)26-16/h3-13H,1-2H3/b19-13-.
What are the key properties of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione?
(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione has a molecular weight of 343.38 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione is sourced from PubChem (CID 6214807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).