6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione

C21H20N2O3 — CID 24881825

IUPAC6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1cc(O)ccc1-2
InChIInChI=1S/C21H20N2O3/c1-22(2)10-5-11-23-19-15-9-8-13(24)12-17(15)20(25)18(19)14-6-3-4-7-16(14)21(23)26/h3-4,6-9,12,24H,5,10-11H2,1-2H3
InChIKeyQCVTYVVIQVLCJC-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.87
Rot. Bonds4

About 6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione

6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 24881825) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione
PubChem CID24881825
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1cc(O)ccc1-2
InChIInChI=1S/C21H20N2O3/c1-22(2)10-5-11-23-19-15-9-8-13(24)12-17(15)20(25)18(19)14-6-3-4-7-16(14)21(23)26/h3-4,6-9,12,24H,5,10-11H2,1-2H3
InChIKeyQCVTYVVIQVLCJC-UHFFFAOYSA-N
XLogP2.87
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-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 6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione (CID 24881825) is 6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione is CN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1cc(O)ccc1-2.
What is the InChIKey of 6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is QCVTYVVIQVLCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-22(2)10-5-11-23-19-15-9-8-13(24)12-17(15)20(25)18(19)14-6-3-4-7-16(14)21(23)26/h3-4,6-9,12,24H,5,10-11H2,1-2H3.
What are the key properties of 6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione?
6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 348.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl]-9-hydroxyindeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 24881825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).