7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione

C32H33FN2O6Si — CID 58000030

IUPAC7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione
SMILESCOc1ccc(CN2C(=O)c3c(c(O)c4ncc(Cc5ccc(F)cc5)cc4c3OCC[Si](C)(C)C)C2=O)c(OC)c1
InChIInChI=1S/C32H33FN2O6Si/c1-39-23-11-8-21(25(16-23)40-2)18-35-31(37)26-27(32(35)38)30(41-12-13-42(3,4)5)24-15-20(17-34-28(24)29(26)36)14-19-6-9-22(33)10-7-19/h6-11,15-17,36H,12-14,18H2,1-5H3
InChIKeyJCFWITYHTKUYKB-UHFFFAOYSA-N
MW588.71 g/mol
LogP6.20
Rot. Bonds10

About 7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione

7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione (PubChem CID 58000030) has the molecular formula C32H33FN2O6Si and a molecular weight of 588.71 g/mol. Its IUPAC name is 7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione.

Molecular Properties

Compound Name7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione
PubChem CID58000030
Molecular FormulaC32H33FN2O6Si
Molecular Weight588.71 g/mol
Exact Mass588.21
IUPAC Name7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione
SMILESCOc1ccc(CN2C(=O)c3c(c(O)c4ncc(Cc5ccc(F)cc5)cc4c3OCC[Si](C)(C)C)C2=O)c(OC)c1
InChIInChI=1S/C32H33FN2O6Si/c1-39-23-11-8-21(25(16-23)40-2)18-35-31(37)26-27(32(35)38)30(41-12-13-42(3,4)5)24-15-20(17-34-28(24)29(26)36)14-19-6-9-22(33)10-7-19/h6-11,15-17,36H,12-14,18H2,1-5H3
InChIKeyJCFWITYHTKUYKB-UHFFFAOYSA-N
XLogP6.20
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-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 7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione?
The IUPAC name of 7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione (CID 58000030) is 7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione.
What is the SMILES notation for 7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione?
The canonical SMILES for 7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione is COc1ccc(CN2C(=O)c3c(c(O)c4ncc(Cc5ccc(F)cc5)cc4c3OCC[Si](C)(C)C)C2=O)c(OC)c1.
What is the InChIKey of 7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione?
The InChIKey is JCFWITYHTKUYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN2O6Si/c1-39-23-11-8-21(25(16-23)40-2)18-35-31(37)26-27(32(35)38)30(41-12-13-42(3,4)5)24-15-20(17-34-28(24)29(26)36)14-19-6-9-22(33)10-7-19/h6-11,15-17,36H,12-14,18H2,1-5H3.
What are the key properties of 7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione?
7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione has a molecular weight of 588.71 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione is sourced from PubChem (CID 58000030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).