5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione

C26H29FN2O3Si — CID 58712617

IUPAC5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione
SMILESCCc1c2c(c(O[Si](CC)(CC)CC)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C26H29FN2O3Si/c1-5-19-20-10-9-15-28-23(20)24(32-33(6-2,7-3)8-4)22-21(19)25(30)29(26(22)31)16-17-11-13-18(27)14-12-17/h9-15H,5-8,16H2,1-4H3
InChIKeyAGRXQKYRZMAVIP-UHFFFAOYSA-N
MW464.61 g/mol
LogP6.12
Rot. Bonds8

About 5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione

5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione (PubChem CID 58712617) has the molecular formula C26H29FN2O3Si and a molecular weight of 464.61 g/mol. Its IUPAC name is 5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione.

Molecular Properties

Compound Name5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione
PubChem CID58712617
Molecular FormulaC26H29FN2O3Si
Molecular Weight464.61 g/mol
Exact Mass464.19
IUPAC Name5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione
SMILESCCc1c2c(c(O[Si](CC)(CC)CC)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C26H29FN2O3Si/c1-5-19-20-10-9-15-28-23(20)24(32-33(6-2,7-3)8-4)22-21(19)25(30)29(26(22)31)16-17-11-13-18(27)14-12-17/h9-15H,5-8,16H2,1-4H3
InChIKeyAGRXQKYRZMAVIP-UHFFFAOYSA-N
XLogP6.12
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione
CID 10450637
7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one
CID 58928874
ethyl [7-[(4-fluorophenyl)methyl]-9-(methoxymethoxy)-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] carbonate
CID 58928849
5-(diethoxyphosphanylmethoxy)-7-[(4-fluorophenyl)methyl]-9-(methoxymethoxy)pyrrolo[3,4-g]quinoline-6,8-dione
CID 142886041
[7-[(4-fluorophenyl)methyl]-9-(methoxymethoxy)-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] fluoromethanesulfonate
CID 89291061
[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;ethane
CID 142885951
bromo(trimethyl)silane;5-(diethoxyphosphorylmethoxy)-7-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl]oxymethylphosphonic acid
CID 157070934
5-methoxy-9-(methoxymethoxy)-7-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-g]quinoline-6,8-dione
CID 89212632
N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate
CID 162001713
2-dimethoxyphosphorylethanol;5-(2-dimethoxyphosphorylethoxy)-7-[(4-fluorophenyl)methyl]-9-(methoxymethoxy)pyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-(methoxymethoxy)pyrrolo[3,4-g]quinoline-6,8-dione
CID 158128272
tert-butyl 2-[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl]oxyacetate;ethyl 2-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl]oxyacetate
CID 158239892
ethane;ethyl 2-[2-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl]oxyethyl-phenoxyphosphanyl]oxypropanoate
CID 142886308

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione?
The IUPAC name of 5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione (CID 58712617) is 5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione.
What is the SMILES notation for 5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione?
The canonical SMILES for 5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione is CCc1c2c(c(O[Si](CC)(CC)CC)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of 5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione?
The InChIKey is AGRXQKYRZMAVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O3Si/c1-5-19-20-10-9-15-28-23(20)24(32-33(6-2,7-3)8-4)22-21(19)25(30)29(26(22)31)16-17-11-13-18(27)14-12-17/h9-15H,5-8,16H2,1-4H3.
What are the key properties of 5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione?
5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione has a molecular weight of 464.61 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-[(4-fluorophenyl)methyl]-9-triethylsilyloxypyrrolo[3,4-g]quinoline-6,8-dione is sourced from PubChem (CID 58712617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).