6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione

C24H25N3O2 — CID 54581116

IUPAC6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN1CCN(CCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)CC1
InChIInChI=1S/C24H25N3O2/c1-25-13-15-26(16-14-25)11-6-12-27-22-18-8-3-4-9-19(18)23(28)21(22)17-7-2-5-10-20(17)24(27)29/h2-5,7-10H,6,11-16H2,1H3
InChIKeySHVOUJYJAODKDX-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.85
Rot. Bonds4

About 6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione

6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 54581116) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID54581116
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN1CCN(CCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)CC1
InChIInChI=1S/C24H25N3O2/c1-25-13-15-26(16-14-25)11-6-12-27-22-18-8-3-4-9-19(18)23(28)21(22)17-7-2-5-10-20(17)24(27)29/h2-5,7-10H,6,11-16H2,1H3
InChIKeySHVOUJYJAODKDX-UHFFFAOYSA-N
XLogP2.85
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione with MolForge

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Related Compounds

6-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 158110774
6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127254868
6-(3-bromopropyl)indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 91061389
6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 11291330
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
3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl 2-aminoacetate;hydrochloride
CID 52949231
6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 52947984
6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 127252618
6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride
CID 90664576
6-(3-aminopropyl)-5,11-dioxoindeno[1,2-c]isoquinoline-3-carboxylic acid
CID 71601086

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione (CID 54581116) is 6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione is CN1CCN(CCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)CC1.
What is the InChIKey of 6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is SHVOUJYJAODKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-25-13-15-26(16-14-25)11-6-12-27-22-18-8-3-4-9-19(18)23(28)21(22)17-7-2-5-10-20(17)24(27)29/h2-5,7-10H,6,11-16H2,1H3.
What are the key properties of 6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 387.48 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 54581116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).