4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one

C24H22N2O3 — CID 3730284

IUPAC4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc(C2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1OC
InChIInChI=1S/C24H22N2O3/c1-28-22-14-13-17(15-23(22)29-2)21-16-20(25-18-9-5-3-6-10-18)24(27)26(21)19-11-7-4-8-12-19/h3-16,21,25H,1-2H3
InChIKeySMCHVNBDEYDAJA-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.79
Rot. Bonds6

About 4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one

4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one (PubChem CID 3730284) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one
PubChem CID3730284
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc(C2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1OC
InChIInChI=1S/C24H22N2O3/c1-28-22-14-13-17(15-23(22)29-2)21-16-20(25-18-9-5-3-6-10-18)24(27)26(21)19-11-7-4-8-12-19/h3-16,21,25H,1-2H3
InChIKeySMCHVNBDEYDAJA-UHFFFAOYSA-N
XLogP4.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of 4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one (CID 3730284) is 4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one is COc1ccc(C2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1OC.
What is the InChIKey of 4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one?
The InChIKey is SMCHVNBDEYDAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-28-22-14-13-17(15-23(22)29-2)21-16-20(25-18-9-5-3-6-10-18)24(27)26(21)19-11-7-4-8-12-19/h3-16,21,25H,1-2H3.
What are the key properties of 4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one?
4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one has a molecular weight of 386.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(3,4-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 3730284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).