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

C24H25N3O3 — CID 127254868

IUPAC6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN1CCN(CC(O)Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)CC1
InChIInChI=1S/C24H25N3O3/c1-25-10-12-26(13-11-25)14-16(28)15-27-22-18-7-3-4-8-19(18)23(29)21(22)17-6-2-5-9-20(17)24(27)30/h2-9,16,28H,10-15H2,1H3
InChIKeyCSXZHSSXWMPEIH-UHFFFAOYSA-N
MW403.48 g/mol
LogP1.82
Rot. Bonds4

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

6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 127254868) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID127254868
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN1CCN(CC(O)Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)CC1
InChIInChI=1S/C24H25N3O3/c1-25-10-12-26(13-11-25)14-16(28)15-27-22-18-7-3-4-8-19(18)23(29)21(22)17-6-2-5-9-20(17)24(27)30/h2-9,16,28H,10-15H2,1H3
InChIKeyCSXZHSSXWMPEIH-UHFFFAOYSA-N
XLogP1.82
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 132968815
6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 54581116
6-[2-hydroxy-3-(4-methoxyphenoxy)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127253469
2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium
CID 59799530
6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 11291330
3-bromo-6-[(2S)-2,3-dihydroxypropyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 122179148
6-[(2S)-2,3-dihydroxypropyl]-3-methylsulfonylindeno[1,2-c]isoquinoline-5,11-dione
CID 122179159
6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 67872285
6-(3-bromopropyl)indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 91061389
6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 2826374
(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 28566412
6-[2-(dimethylamino)-2-(furan-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127253290

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione (CID 127254868) is 6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione is CN1CCN(CC(O)Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)CC1.
What is the InChIKey of 6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is CSXZHSSXWMPEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-25-10-12-26(13-11-25)14-16(28)15-27-22-18-7-3-4-8-19(18)23(29)21(22)17-6-2-5-9-20(17)24(27)30/h2-9,16,28H,10-15H2,1H3.
What are the key properties of 6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 403.48 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 127254868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).