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

C27H24N2O5 — CID 110555634

IUPAC3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3cc(OC)cc(OC)c3)C2=O)cc1
InChIInChI=1S/C27H24N2O5/c1-32-20-10-8-18(9-11-20)24-25(28-13-12-17-6-4-5-7-23(17)28)27(31)29(26(24)30)19-14-21(33-2)16-22(15-19)34-3/h4-11,14-16H,12-13H2,1-3H3
InChIKeyHUGVXNAUSLKSAE-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.06
Rot. Bonds6

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

3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110555634) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110555634
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3cc(OC)cc(OC)c3)C2=O)cc1
InChIInChI=1S/C27H24N2O5/c1-32-20-10-8-18(9-11-20)24-25(28-13-12-17-6-4-5-7-23(17)28)27(31)29(26(24)30)19-14-21(33-2)16-22(15-19)34-3/h4-11,14-16H,12-13H2,1-3H3
InChIKeyHUGVXNAUSLKSAE-UHFFFAOYSA-N
XLogP4.06
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110560752
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-(4-methoxyphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577374
1-(2,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110558225
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573345
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110577847
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-fluorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557064
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(dimethylamino)phenyl]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110558151
3-(2,3-dihydroindol-1-yl)-1,4-diphenylpyrrole-2,5-dione
CID 110561108
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione
CID 110570379
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)-1-(2,5-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110549976

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione (CID 110555634) is 3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3cc(OC)cc(OC)c3)C2=O)cc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is HUGVXNAUSLKSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-32-20-10-8-18(9-11-20)24-25(28-13-12-17-6-4-5-7-23(17)28)27(31)29(26(24)30)19-14-21(33-2)16-22(15-19)34-3/h4-11,14-16H,12-13H2,1-3H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 456.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110555634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).