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

C24H19NO3 — CID 9446982

IUPAC(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione
SMILESCOc1cccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)c1
InChIInChI=1S/C24H19NO3/c1-16-10-12-18(13-11-16)25-23(26)21-9-4-3-8-20(21)22(24(25)27)15-17-6-5-7-19(14-17)28-2/h3-15H,1-2H3/b22-15-
InChIKeyGFWIBLIMQLRAKX-JCMHNJIXSA-N
MW369.42 g/mol
LogP4.73
Rot. Bonds3

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

(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione (PubChem CID 9446982) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione.

Molecular Properties

Compound Name(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione
PubChem CID9446982
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione
SMILESCOc1cccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)c1
InChIInChI=1S/C24H19NO3/c1-16-10-12-18(13-11-16)25-23(26)21-9-4-3-8-20(21)22(24(25)27)15-17-6-5-7-19(14-17)28-2/h3-15H,1-2H3/b22-15-
InChIKeyGFWIBLIMQLRAKX-JCMHNJIXSA-N
XLogP4.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.73
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[(3-methoxyphenyl)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
CID 18271497
4-[(3-methoxyphenyl)methylidene]-1-(4-methylphenyl)pyrazolidine-3,5-dione
CID 695134
(5E)-1-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6523030
(5Z)-5-[(3-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 873247
1-(3,5-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1367873
(4E)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione
CID 2459368
4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione
CID 3364104
3-benzylidene-2-(4-methoxyphenyl)isoindol-1-one
CID 3569909
(4Z)-2-(4-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)isoquinoline-1,3-dione
CID 7912485
(4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione
CID 7971937
ethyl 4-[(4Z)-4-[(3-fluorophenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]benzoate
CID 7972427
5-[(3-methoxyphenyl)methylidene]-1-(4-phenoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90972459

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione?
The IUPAC name of (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione (CID 9446982) is (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione.
What is the SMILES notation for (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione?
The canonical SMILES for (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione is COc1cccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)c1.
What is the InChIKey of (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione?
The InChIKey is GFWIBLIMQLRAKX-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H19NO3/c1-16-10-12-18(13-11-16)25-23(26)21-9-4-3-8-20(21)22(24(25)27)15-17-6-5-7-19(14-17)28-2/h3-15H,1-2H3/b22-15-.
What are the key properties of (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione?
(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione has a molecular weight of 369.42 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione is sourced from PubChem (CID 9446982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).