3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione

C24H24ClN3O3 — CID 110570223

IUPAC3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc(Cl)cc2)=C(N2CCc3ccccc32)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C24H24ClN3O3/c25-19-7-5-18(6-8-19)21-22(27-10-9-17-3-1-2-4-20(17)27)24(30)28(23(21)29)12-11-26-13-15-31-16-14-26/h1-8H,9-16H2
InChIKeyRQCLWJIEFRQTMN-UHFFFAOYSA-N
MW437.93 g/mol
LogP2.81
Rot. Bonds5

About 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione

3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione (PubChem CID 110570223) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
PubChem CID110570223
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc(Cl)cc2)=C(N2CCc3ccccc32)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C24H24ClN3O3/c25-19-7-5-18(6-8-19)21-22(27-10-9-17-3-1-2-4-20(17)27)24(30)28(23(21)29)12-11-26-13-15-31-16-14-26/h1-8H,9-16H2
InChIKeyRQCLWJIEFRQTMN-UHFFFAOYSA-N
XLogP2.81
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541872
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110569294
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559397
1-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546253
3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione
CID 110559989
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione
CID 6539521
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-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110560066
3-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propylpyrrole-2,5-dione
CID 110569596
3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110572775
1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573052
N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
CID 110562565

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione (CID 110570223) is 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione is O=C1C(c2ccc(Cl)cc2)=C(N2CCc3ccccc32)C(=O)N1CCN1CCOCC1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The InChIKey is RQCLWJIEFRQTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c25-19-7-5-18(6-8-19)21-22(27-10-9-17-3-1-2-4-20(17)27)24(30)28(23(21)29)12-11-26-13-15-31-16-14-26/h1-8H,9-16H2.
What are the key properties of 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione has a molecular weight of 437.93 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110570223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).