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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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).