8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione

C25H23N3O6 — CID 71457146

IUPAC8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCOc1cc2c(cc1O)-c1c(c3cc(OC)c(OC)cc3c(=O)n1CCCn1ccnc1)C2=O
InChIInChI=1S/C25H23N3O6/c1-32-19-11-16-15(9-18(19)29)23-22(24(16)30)14-10-20(33-2)21(34-3)12-17(14)25(31)28(23)7-4-6-27-8-5-26-13-27/h5,8-13,29H,4,6-7H2,1-3H3
InChIKeyAJMCXENAGHFHKC-UHFFFAOYSA-N
MW461.47 g/mol
LogP3.23
Rot. Bonds7

About 8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione

8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 71457146) has the molecular formula C25H23N3O6 and a molecular weight of 461.47 g/mol. Its IUPAC name is 8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione
PubChem CID71457146
Molecular FormulaC25H23N3O6
Molecular Weight461.47 g/mol
Exact Mass461.16
IUPAC Name8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCOc1cc2c(cc1O)-c1c(c3cc(OC)c(OC)cc3c(=O)n1CCCn1ccnc1)C2=O
InChIInChI=1S/C25H23N3O6/c1-32-19-11-16-15(9-18(19)29)23-22(24(16)30)14-10-20(33-2)21(34-3)12-17(14)25(31)28(23)7-4-6-27-8-5-26-13-27/h5,8-13,29H,4,6-7H2,1-3H3
InChIKeyAJMCXENAGHFHKC-UHFFFAOYSA-N
XLogP3.23
TPSA104.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[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 8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione (CID 71457146) is 8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione is COc1cc2c(cc1O)-c1c(c3cc(OC)c(OC)cc3c(=O)n1CCCn1ccnc1)C2=O.
What is the InChIKey of 8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is AJMCXENAGHFHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O6/c1-32-19-11-16-15(9-18(19)29)23-22(24(16)30)14-10-20(33-2)21(34-3)12-17(14)25(31)28(23)7-4-6-27-8-5-26-13-27/h5,8-13,29H,4,6-7H2,1-3H3.
What are the key properties of 8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 461.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-(3-imidazol-1-ylpropyl)-2,3,9-trimethoxyindeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 71457146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).