2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione

C19H16N4O3 — CID 169448158

IUPAC2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(N/N=C/c4ccc[nH]4)ccc(c23)C(=O)N1CCO
InChIInChI=1S/C19H16N4O3/c24-10-9-23-18(25)14-5-1-4-13-16(7-6-15(17(13)14)19(23)26)22-21-11-12-3-2-8-20-12/h1-8,11,20,22,24H,9-10H2/b21-11+
InChIKeyXIRDIIMUGXHGIJ-SRZZPIQSSA-N
MW348.36 g/mol
LogP2.20
Rot. Bonds5

About 2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione

2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione (PubChem CID 169448158) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione
PubChem CID169448158
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(N/N=C/c4ccc[nH]4)ccc(c23)C(=O)N1CCO
InChIInChI=1S/C19H16N4O3/c24-10-9-23-18(25)14-5-1-4-13-16(7-6-15(17(13)14)19(23)26)22-21-11-12-3-2-8-20-12/h1-8,11,20,22,24H,9-10H2/b21-11+
InChIKeyXIRDIIMUGXHGIJ-SRZZPIQSSA-N
XLogP2.20
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-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-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione (CID 169448158) is 2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(N/N=C/c4ccc[nH]4)ccc(c23)C(=O)N1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione?
The InChIKey is XIRDIIMUGXHGIJ-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-10-9-23-18(25)14-5-1-4-13-16(7-6-15(17(13)14)19(23)26)22-21-11-12-3-2-8-20-12/h1-8,11,20,22,24H,9-10H2/b21-11+.
What are the key properties of 2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione?
2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione has a molecular weight of 348.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-6-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 169448158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).