6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione

C22H21N3O2 — CID 11291330

IUPAC6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCN1CCNCC1
InChIInChI=1S/C22H21N3O2/c26-21-17-7-3-2-6-16(17)20-19(21)15-5-1-4-8-18(15)22(27)25(20)14-13-24-11-9-23-10-12-24/h1-8,23H,9-14H2
InChIKeyJRHPKTJYGSGQMS-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.12
Rot. Bonds3

About 6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione

6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 11291330) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID11291330
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCN1CCNCC1
InChIInChI=1S/C22H21N3O2/c26-21-17-7-3-2-6-16(17)20-19(21)15-5-1-4-8-18(15)22(27)25(20)14-13-24-11-9-23-10-12-24/h1-8,23H,9-14H2
InChIKeyJRHPKTJYGSGQMS-UHFFFAOYSA-N
XLogP2.12
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

Analyze 6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione with MolForge

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Related Compounds

6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 54581116
6-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 158110774
6-(3-bromopropyl)indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 91061389
2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium
CID 59799530
6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 2826374
6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 132968815
6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127253238
2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide
CID 52946484
6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 52947984
6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 67872285
6-(3-aminopropyl)-5,11-dioxoindeno[1,2-c]isoquinoline-3-carboxylic acid
CID 71601086
6-(4-fluorophenyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 138585218

Frequently Asked Questions

What is the IUPAC name of 6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione (CID 11291330) is 6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione is O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCN1CCNCC1.
What is the InChIKey of 6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is JRHPKTJYGSGQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21-17-7-3-2-6-16(17)20-19(21)15-5-1-4-8-18(15)22(27)25(20)14-13-24-11-9-23-10-12-24/h1-8,23H,9-14H2.
What are the key properties of 6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione?
6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 359.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 11291330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).