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

C36H35FN2O3Si — CID 90698921

IUPAC9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinolin-8-ol
SMILESC[Si](C)(C)CCOc1c2cccnc2c(OC(c2ccccc2)c2ccccc2)c2c(O)n(Cc3ccc(F)cc3)cc12
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/h4-20,24,33,40H,21-23H2,1-3H3
InChIKeyZXCOTUKGIMPYNT-UHFFFAOYSA-N
MW590.77 g/mol
LogP8.97
Rot. Bonds10

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

9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinolin-8-ol (PubChem CID 90698921) 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)pyrrolo[3,4-g]quinolin-8-ol.

Molecular Properties

Compound Name9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinolin-8-ol
PubChem CID90698921
Molecular FormulaC36H35FN2O3Si
Molecular Weight590.77 g/mol
Exact Mass590.24
IUPAC Name9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinolin-8-ol
SMILESC[Si](C)(C)CCOc1c2cccnc2c(OC(c2ccccc2)c2ccccc2)c2c(O)n(Cc3ccc(F)cc3)cc12
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/h4-20,24,33,40H,21-23H2,1-3H3
InChIKeyZXCOTUKGIMPYNT-UHFFFAOYSA-N
XLogP8.97
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-Propan-2-ylphenyl)methoxy]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145973264
9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-8-one
CID 58928674
9-Benzhydryloxy-7-(4-fluoro-benzyl)-5-(2-trimethylsilanyl-ethoxy)-6,7-dihydro-pyrrolo[3,4-g]quinolin-8-one
CID 58928704
7-(4-Fluoro-benzyl)-6-hydroxy-5-methoxy-6-phenyl-9-triisopropylsilanyloxy-6,7-dihydro-pyrrolo[3,4-g]quinolin-8-one
CID 58928756
9-Benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione
CID 58928821
9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 58928900
[3-(8-Benzhydryloxy-7-methyl-5-triisopropylsilanyloxy-quinolin-6-yl)-propyl]-(3-chloro-4-fluoro-benzyl)-amine
CID 58928908
[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-5-(2-trimethylsilylethoxy)-6H-pyrrolo[3,4-g]quinolin-6-yl] acetate
CID 58929045
10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol
CID 68932598
5-(Diethoxyphosphorylmethoxy)-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol
CID 90692096
[7-[(4-Fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl] 4-(dimethoxyphosphorylmethyl)piperazine-1-carboxylate
CID 90698863
[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl] N-ethylcarbamate
CID 90701500

Frequently Asked Questions

What is the IUPAC name of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinolin-8-ol?
The IUPAC name of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinolin-8-ol (CID 90698921) is 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinolin-8-ol.
What is the SMILES notation for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinolin-8-ol?
The canonical SMILES for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinolin-8-ol is C[Si](C)(C)CCOc1c2cccnc2c(OC(c2ccccc2)c2ccccc2)c2c(O)n(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinolin-8-ol?
The InChIKey is ZXCOTUKGIMPYNT-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/h4-20,24,33,40H,21-23H2,1-3H3.
What are the key properties of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinolin-8-ol?
9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinolin-8-ol has a molecular weight of 590.77 g/mol, XLogP of 8.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinolin-8-ol is sourced from PubChem (CID 90698921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).