9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one

C36H35FN2O3Si — CID 58928704

IUPAC9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESC[Si](C)(C)CCOc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C36H35FN2O3Si/c1-43(2,3)22-21-41-34-29-15-10-20-38-32(29)35(42-33(26-11-6-4-7-12-26)27-13-8-5-9-14-27)31-30(34)24-39(36(31)40)23-25-16-18-28(37)19-17-25/h4-20,33H,21-24H2,1-3H3
InChIKeyCPHVXWJDDJENTJ-UHFFFAOYSA-N
MW590.77 g/mol
LogP8.42
Rot. Bonds10

About 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one

9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 58928704) has the molecular formula C36H35FN2O3Si and a molecular weight of 590.77 g/mol. Its IUPAC name is 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID58928704
Molecular FormulaC36H35FN2O3Si
Molecular Weight590.77 g/mol
Exact Mass590.24
IUPAC Name9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESC[Si](C)(C)CCOc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C36H35FN2O3Si/c1-43(2,3)22-21-41-34-29-15-10-20-38-32(29)35(42-33(26-11-6-4-7-12-26)27-13-8-5-9-14-27)31-30(34)24-39(36(31)40)23-25-16-18-28(37)19-17-25/h4-20,33H,21-24H2,1-3H3
InChIKeyCPHVXWJDDJENTJ-UHFFFAOYSA-N
XLogP8.42
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one 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 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one (CID 58928704) is 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one is C[Si](C)(C)CCOc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.
What is the InChIKey of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is CPHVXWJDDJENTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35FN2O3Si/c1-43(2,3)22-21-41-34-29-15-10-20-38-32(29)35(42-33(26-11-6-4-7-12-26)27-13-8-5-9-14-27)31-30(34)24-39(36(31)40)23-25-16-18-28(37)19-17-25/h4-20,33H,21-24H2,1-3H3.
What are the key properties of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one?
9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 590.77 g/mol, XLogP of 8.42, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 58928704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).