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

C21H20N2O3 — CID 15295845

IUPAC6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCO
InChIInChI=1S/C21H20N2O3/c24-13-11-22-10-5-12-23-19-15-7-2-3-8-16(15)20(25)18(19)14-6-1-4-9-17(14)21(23)26/h1-4,6-9,22,24H,5,10-13H2
InChIKeyBYCJOFWNTUNYGZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.18
Rot. Bonds6

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

6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 15295845) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID15295845
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCO
InChIInChI=1S/C21H20N2O3/c24-13-11-22-10-5-12-23-19-15-7-2-3-8-16(15)20(25)18(19)14-6-1-4-9-17(14)21(23)26/h1-4,6-9,22,24H,5,10-13H2
InChIKeyBYCJOFWNTUNYGZ-UHFFFAOYSA-N
XLogP2.18
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[3-(2-hydroxyethylamino)propyl]indeno[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

Related Compounds

Oracine
CID 160047
4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate
CID 5288720
6-(2-Hydroxyethyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione
CID 334474
6-(3-Aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 11220435
5,6-dioxo-11H-inden o[1,2-c]isoquinoline
CID 11256032
QH38KU772C
CID 11520588
6-(5-aminopentyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline hydrochloride
CID 16221201
6-(7-amonoheptyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride
CID 16221203
6-(6-Aminohexyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline Hydrochloride
CID 16221320
6-(3-Amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 53388506
3-Amino-6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 60148508
4-[Benzyl(2-hydroxyethyl)amino]-1,2-naphthalenedione
CID 3111378

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione (CID 15295845) is 6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione is O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCO.
What is the InChIKey of 6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is BYCJOFWNTUNYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-13-11-22-10-5-12-23-19-15-7-2-3-8-16(15)20(25)18(19)14-6-1-4-9-17(14)21(23)26/h1-4,6-9,22,24H,5,10-13H2.
What are the key properties of 6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 348.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 15295845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).