4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione

C24H19NO5 — CID 30589330

IUPAC4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione
SMILESCOc1ccc(C=C2C(=O)N(c3ccccc3OC)C(=O)c3ccccc32)cc1O
InChIInChI=1S/C24H19NO5/c1-29-21-10-6-5-9-19(21)25-23(27)17-8-4-3-7-16(17)18(24(25)28)13-15-11-12-22(30-2)20(26)14-15/h3-14,26H,1-2H3
InChIKeyRUVKUWBVEKLVAP-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.14
Rot. Bonds4

About 4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione

4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione (PubChem CID 30589330) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione.

Molecular Properties

Compound Name4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione
PubChem CID30589330
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione
SMILESCOc1ccc(C=C2C(=O)N(c3ccccc3OC)C(=O)c3ccccc32)cc1O
InChIInChI=1S/C24H19NO5/c1-29-21-10-6-5-9-19(21)25-23(27)17-8-4-3-7-16(17)18(24(25)28)13-15-11-12-22(30-2)20(26)14-15/h3-14,26H,1-2H3
InChIKeyRUVKUWBVEKLVAP-UHFFFAOYSA-N
XLogP4.14
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4Z)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]acetate
CID 9367852
5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol
CID 142965156
4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 27718674
(4E)-4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 75365119
(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 2201806
3-(1,3-dioxoisoindol-2-yl)-4-methoxybenzaldehyde
CID 168517187
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837183
10-[(4-hydroxy-3-methoxyphenyl)methylidene]anthracen-9-one
CID 12516081
(5E)-1-(2,3-dichlorophenyl)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1344229
4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione
CID 3364104
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6205029
(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2180223

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione?
The IUPAC name of 4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione (CID 30589330) is 4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione.
What is the SMILES notation for 4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione?
The canonical SMILES for 4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione is COc1ccc(C=C2C(=O)N(c3ccccc3OC)C(=O)c3ccccc32)cc1O.
What is the InChIKey of 4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione?
The InChIKey is RUVKUWBVEKLVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-29-21-10-6-5-9-19(21)25-23(27)17-8-4-3-7-16(17)18(24(25)28)13-15-11-12-22(30-2)20(26)14-15/h3-14,26H,1-2H3.
What are the key properties of 4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione?
4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione has a molecular weight of 401.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione is sourced from PubChem (CID 30589330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).