6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione

C20H18N2O3 — CID 54586247

IUPAC6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccc(O)cc1-2
InChIInChI=1S/C20H18N2O3/c1-21(2)9-10-22-18-16-11-12(23)7-8-14(16)19(24)17(18)13-5-3-4-6-15(13)20(22)25/h3-8,11,23H,9-10H2,1-2H3
InChIKeyRGXAQFZVXRJMOO-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.48
Rot. Bonds3

About 6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione

6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 54586247) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione
PubChem CID54586247
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccc(O)cc1-2
InChIInChI=1S/C20H18N2O3/c1-21(2)9-10-22-18-16-11-12(23)7-8-14(16)19(24)17(18)13-5-3-4-6-15(13)20(22)25/h3-8,11,23H,9-10H2,1-2H3
InChIKeyRGXAQFZVXRJMOO-UHFFFAOYSA-N
XLogP2.48
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 24881885
6-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 158110774
8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 25015442
6-(3-bromopropyl)indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 91061389
6-[2-(3,4-dihydroxyphenyl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127252797
2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium
CID 59799530
6-[3-(dimethylamino)propyl]indeno[1,2-h][1,6]naphthyridine-5,11-dione
CID 127044404
9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 24881823
6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 54581116
6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione
CID 46190225
20-[3-(dimethylamino)propyl]-15,16-bis(hydroxymethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione
CID 162494622
2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide
CID 52946484

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione (CID 54586247) is 6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione is CN(C)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccc(O)cc1-2.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is RGXAQFZVXRJMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-21(2)9-10-22-18-16-11-12(23)7-8-14(16)19(24)17(18)13-5-3-4-6-15(13)20(22)25/h3-8,11,23H,9-10H2,1-2H3.
What are the key properties of 6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione?
6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 334.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 54586247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).