3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione

C28H22N2O3 — CID 110567349

IUPAC3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N(C)c2ccccc2)C(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C28H22N2O3/c1-29(20-13-4-3-5-14-20)26-25(22-16-8-9-18-24(22)33-2)27(31)30(28(26)32)23-17-10-12-19-11-6-7-15-21(19)23/h3-18H,1-2H3
InChIKeyHOPWHKAYIGQFMS-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.27
Rot. Bonds5

About 3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione

3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione (PubChem CID 110567349) has the molecular formula C28H22N2O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
PubChem CID110567349
Molecular FormulaC28H22N2O3
Molecular Weight434.50 g/mol
Exact Mass434.16
IUPAC Name3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N(C)c2ccccc2)C(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C28H22N2O3/c1-29(20-13-4-3-5-14-20)26-25(22-16-8-9-18-24(22)33-2)27(31)30(28(26)32)23-17-10-12-19-11-6-7-15-21(19)23/h3-18H,1-2H3
InChIKeyHOPWHKAYIGQFMS-UHFFFAOYSA-N
XLogP5.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561422
3-(N-methylanilino)-4-(4-methylphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574208
1-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110567390
3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110567352
1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110566265
1-(3-butoxypropyl)-3-(2-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110566422
N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563580
3-[3-(hydroxymethyl)piperidin-1-yl]-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110567350
1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110558315
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110567438
2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione
CID 102164301
3-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561417

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione (CID 110567349) is 3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione is COc1ccccc1C1=C(N(C)c2ccccc2)C(=O)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione?
The InChIKey is HOPWHKAYIGQFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O3/c1-29(20-13-4-3-5-14-20)26-25(22-16-8-9-18-24(22)33-2)27(31)30(28(26)32)23-17-10-12-19-11-6-7-15-21(19)23/h3-18H,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione?
3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione has a molecular weight of 434.50 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110567349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).