4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione

C30H24N2O5 — CID 91808222

IUPAC4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4cccnc4)cc3)C2c2ccccc2OC)cc1
InChIInChI=1S/C30H24N2O5/c1-36-23-15-11-20(12-16-23)28(33)26-27(24-7-3-4-8-25(24)37-2)32(30(35)29(26)34)22-13-9-19(10-14-22)21-6-5-17-31-18-21/h3-18,26-27H,1-2H3
InChIKeyHYGMRXBNVZEGNS-UHFFFAOYSA-N
MW492.53 g/mol
LogP4.92
Rot. Bonds7

About 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione

4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione (PubChem CID 91808222) has the molecular formula C30H24N2O5 and a molecular weight of 492.53 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione
PubChem CID91808222
Molecular FormulaC30H24N2O5
Molecular Weight492.53 g/mol
Exact Mass492.17
IUPAC Name4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4cccnc4)cc3)C2c2ccccc2OC)cc1
InChIInChI=1S/C30H24N2O5/c1-36-23-15-11-20(12-16-23)28(33)26-27(24-7-3-4-8-25(24)37-2)32(30(35)29(26)34)22-13-9-19(10-14-22)21-6-5-17-31-18-21/h3-18,26-27H,1-2H3
InChIKeyHYGMRXBNVZEGNS-UHFFFAOYSA-N
XLogP4.92
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498266
3-(3-Dimethylamino-propyl)-4-methoxy-N-(4-pyridin-4-yl-phenyl)-benzamide
CID 10068933
5-(4-methoxyphenyl)-6-(4-pyridyl) 3-phenyl-1-methyl-1H-pyridin-2-one
CID 10761534
3-(3-Methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one
CID 118238848
3-(3-Methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one
CID 118239056
1-[(4-Methoxyphenyl)methyl]-5-pyridin-4-ylindole-2,3-dione
CID 141372273
4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405529
1-(4-Methoxyphenyl)-3-{4-[4-(pyridin-3-ylcarbonyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione
CID 2981926
1-(4-Ethoxyphenyl)-3-[4-(4-isonicotinoylphenyl)-1-piperazinyl]-2,5-pyrrolidinedione
CID 2984340
3-[(Z)-3-(dimethylamino)prop-1-enyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide
CID 10500422
3-((E)-3-Dimethylamino-propenyl)-4-methoxy-N-(4-pyridin-4-yl-phenyl)-benzamide
CID 10643939
3-(3-Dimethylamino-prop-1-ynyl)-4-methoxy-N-(4-pyridin-4-yl-phenyl)-benzamide
CID 10786335

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione?
The IUPAC name of 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione (CID 91808222) is 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione is COc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4cccnc4)cc3)C2c2ccccc2OC)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione?
The InChIKey is HYGMRXBNVZEGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5/c1-36-23-15-11-20(12-16-23)28(33)26-27(24-7-3-4-8-25(24)37-2)32(30(35)29(26)34)22-13-9-19(10-14-22)21-6-5-17-31-18-21/h3-18,26-27H,1-2H3.
What are the key properties of 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione?
4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione has a molecular weight of 492.53 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-(4-pyridin-3-ylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91808222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).