2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione

C19H19N3O3 — CID 2731384

IUPAC2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19N3O3/c23-18-16-3-1-2-4-17(16)19(24)22(18)13-20-14-5-7-15(8-6-14)21-9-11-25-12-10-21/h1-8,20H,9-13H2
InChIKeyNMFDNVJXDZBLQR-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.19
Rot. Bonds4

About 2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione

2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione (PubChem CID 2731384) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione
PubChem CID2731384
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19N3O3/c23-18-16-3-1-2-4-17(16)19(24)22(18)13-20-14-5-7-15(8-6-14)21-9-11-25-12-10-21/h1-8,20H,9-13H2
InChIKeyNMFDNVJXDZBLQR-UHFFFAOYSA-N
XLogP2.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione 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-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione (CID 2731384) is 2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione?
The InChIKey is NMFDNVJXDZBLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18-16-3-1-2-4-17(16)19(24)22(18)13-20-14-5-7-15(8-6-14)21-9-11-25-12-10-21/h1-8,20H,9-13H2.
What are the key properties of 2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione?
2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione has a molecular weight of 337.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-ylanilino)methyl]isoindole-1,3-dione is sourced from PubChem (CID 2731384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).