4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione

C21H15NO4 — CID 27718674

IUPAC4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
SMILESCOc1ccccc1N1C(=O)C(=Cc2ccco2)c2ccccc2C1=O
InChIInChI=1S/C21H15NO4/c1-25-19-11-5-4-10-18(19)22-20(23)16-9-3-2-8-15(16)17(21(22)24)13-14-7-6-12-26-14/h2-13H,1H3
InChIKeyXKEBWTMRTAHIGM-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.02
Rot. Bonds3

About 4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione

4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione (PubChem CID 27718674) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione.

Molecular Properties

Compound Name4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
PubChem CID27718674
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
SMILESCOc1ccccc1N1C(=O)C(=Cc2ccco2)c2ccccc2C1=O
InChIInChI=1S/C21H15NO4/c1-25-19-11-5-4-10-18(19)22-20(23)16-9-3-2-8-15(16)17(21(22)24)13-14-7-6-12-26-14/h2-13H,1H3
InChIKeyXKEBWTMRTAHIGM-UHFFFAOYSA-N
XLogP4.02
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 75365119
(5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837217
4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 30589330
4-(furan-2-ylmethylidene)-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione
CID 8005958
(3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one
CID 10729540
(3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one
CID 126120532
(3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one
CID 6305986
6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 699158
4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione
CID 2836357
3-(1,3-dioxoisoindol-2-yl)-4-methoxybenzaldehyde
CID 168517187
2-(5-tert-butyl-2-methoxyphenyl)isoindole-1,3-dione
CID 56954690
(2R)-2-(furan-2-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007501

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione?
The IUPAC name of 4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione (CID 27718674) is 4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione.
What is the SMILES notation for 4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione?
The canonical SMILES for 4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione is COc1ccccc1N1C(=O)C(=Cc2ccco2)c2ccccc2C1=O.
What is the InChIKey of 4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione?
The InChIKey is XKEBWTMRTAHIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c1-25-19-11-5-4-10-18(19)22-20(23)16-9-3-2-8-15(16)17(21(22)24)13-14-7-6-12-26-14/h2-13H,1H3.
What are the key properties of 4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione?
4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione has a molecular weight of 345.35 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione is sourced from PubChem (CID 27718674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).