2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one

C22H24N4O3 — CID 157468346

IUPAC2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one
SMILES[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCN)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C22H24N4O3/c1-28-15-10-14(11-16(12-15)29-2)26-19(7-8-23)21(27)20(22(26)24)18-9-13-5-3-4-6-17(13)25-18/h3-6,10-12,19,24-25H,7-9,23H2,1-2H3/b20-18?,24-22-
InChIKeyDBBFHOFWZIVWJI-FGRLMIIBSA-N
MW392.46 g/mol
LogP2.71
Rot. Bonds5

About 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one

2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one (PubChem CID 157468346) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one
PubChem CID157468346
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one
SMILES[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCN)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C22H24N4O3/c1-28-15-10-14(11-16(12-15)29-2)26-19(7-8-23)21(27)20(22(26)24)18-9-13-5-3-4-6-17(13)25-18/h3-6,10-12,19,24-25H,7-9,23H2,1-2H3/b20-18?,24-22-
InChIKeyDBBFHOFWZIVWJI-FGRLMIIBSA-N
XLogP2.71
TPSA100.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one?
The IUPAC name of 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one (CID 157468346) is 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one is [H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCN)N1c1cc(OC)cc(OC)c1.
What is the InChIKey of 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one?
The InChIKey is DBBFHOFWZIVWJI-FGRLMIIBSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-15-10-14(11-16(12-15)29-2)26-19(7-8-23)21(27)20(22(26)24)18-9-13-5-3-4-6-17(13)25-18/h3-6,10-12,19,24-25H,7-9,23H2,1-2H3/b20-18?,24-22-.
What are the key properties of 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one?
2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one has a molecular weight of 392.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one is sourced from PubChem (CID 157468346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).