3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione

C25H20N2O3 — CID 110560752

IUPAC3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccccc3)=C(N3CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C25H20N2O3/c1-30-20-13-11-19(12-14-20)27-24(28)22(18-8-3-2-4-9-18)23(25(27)29)26-16-15-17-7-5-6-10-21(17)26/h2-14H,15-16H2,1H3
InChIKeyZHGWTDBNULNHRV-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.04
Rot. Bonds4

About 3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione

3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110560752) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110560752
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccccc3)=C(N3CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C25H20N2O3/c1-30-20-13-11-19(12-14-20)27-24(28)22(18-8-3-2-4-9-18)23(25(27)29)26-16-15-17-7-5-6-10-21(17)26/h2-14H,15-16H2,1H3
InChIKeyZHGWTDBNULNHRV-UHFFFAOYSA-N
XLogP4.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557315
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110555634
3-(2,3-dihydroindol-1-yl)-1,4-diphenylpyrrole-2,5-dione
CID 110561108
3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577374
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-phenylpyrrole-2,5-dione
CID 110558734
3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574158
3-(2,3-dihydroindol-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione
CID 110551774
1-(2,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110558225
1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione
CID 110562035
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546160
1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560737
propyl 4-[3-(2,3-dihydroindol-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzoate
CID 110561016

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione (CID 110560752) is 3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione is COc1ccc(N2C(=O)C(c3ccccc3)=C(N3CCc4ccccc43)C2=O)cc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is ZHGWTDBNULNHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-30-20-13-11-19(12-14-20)27-24(28)22(18-8-3-2-4-9-18)23(25(27)29)26-16-15-17-7-5-6-10-21(17)26/h2-14H,15-16H2,1H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 396.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110560752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).