6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione

C26H22N2O5 — CID 46190225

IUPAC6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCOc1ccc(-n2c3c(c4ccc(O)cc4c2=O)C(=O)c2cc(O)ccc2-3)cc1
InChIInChI=1S/C26H22N2O5/c1-27(2)11-12-33-18-7-3-15(4-8-18)28-24-20-10-6-16(29)13-21(20)25(31)23(24)19-9-5-17(30)14-22(19)26(28)32/h3-10,13-14,29-30H,11-12H2,1-2H3
InChIKeyYGQUPAVDJCLCSA-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.55
Rot. Bonds5

About 6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione

6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 46190225) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione
PubChem CID46190225
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Name6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCOc1ccc(-n2c3c(c4ccc(O)cc4c2=O)C(=O)c2cc(O)ccc2-3)cc1
InChIInChI=1S/C26H22N2O5/c1-27(2)11-12-33-18-7-3-15(4-8-18)28-24-20-10-6-16(29)13-21(20)25(31)23(24)19-9-5-17(30)14-22(19)26(28)32/h3-10,13-14,29-30H,11-12H2,1-2H3
InChIKeyYGQUPAVDJCLCSA-UHFFFAOYSA-N
XLogP3.55
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[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

6-[4-[2-(diethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione
CID 127045273
9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 24881885
9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 24881823
8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 25015442
6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione
CID 54586247
2-[6-[5-[2-(dimethylamino)ethoxy]-3-oxo-1,2-benzothiazol-2-yl]hexyl]-5-hydroxy-1,2-benzothiazol-3-one
CID 146478530
1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one
CID 71543108
2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one
CID 82579503
4-[4-[2-(dimethylamino)ethoxy]phenyl]-7-hydroxy-3-(4-methoxyphenoxy)chromen-2-one
CID 142929066
2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one
CID 57439818
2,6-bis(4-ethoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731134
[4-[2-(dimethylamino)ethoxy]phenyl]-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-1-benzothiophen-3-yl]methanone
CID 22753319

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione (CID 46190225) is 6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione is CN(C)CCOc1ccc(-n2c3c(c4ccc(O)cc4c2=O)C(=O)c2cc(O)ccc2-3)cc1.
What is the InChIKey of 6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is YGQUPAVDJCLCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5/c1-27(2)11-12-33-18-7-3-15(4-8-18)28-24-20-10-6-16(29)13-21(20)25(31)23(24)19-9-5-17(30)14-22(19)26(28)32/h3-10,13-14,29-30H,11-12H2,1-2H3.
What are the key properties of 6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione?
6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 442.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 46190225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).