3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol

C29H37FN2O3Si — CID 90766860

IUPAC3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol
SMILESCC(C)[Si](Oc1c2ncc(Cc3ccc(F)cc3)cc2c(CO)c2cn(C)c(O)c12)(C(C)C)C(C)C
InChIInChI=1S/C29H37FN2O3Si/c1-17(2)36(18(3)4,19(5)6)35-28-26-24(15-32(7)29(26)34)25(16-33)23-13-21(14-31-27(23)28)12-20-8-10-22(30)11-9-20/h8-11,13-15,17-19,33-34H,12,16H2,1-7H3
InChIKeyWYCBPHNQDBLYSZ-UHFFFAOYSA-N
MW508.71 g/mol
LogP7.21
Rot. Bonds8

About 3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol

3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol (PubChem CID 90766860) has the molecular formula C29H37FN2O3Si and a molecular weight of 508.71 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol
PubChem CID90766860
Molecular FormulaC29H37FN2O3Si
Molecular Weight508.71 g/mol
Exact Mass508.26
IUPAC Name3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol
SMILESCC(C)[Si](Oc1c2ncc(Cc3ccc(F)cc3)cc2c(CO)c2cn(C)c(O)c12)(C(C)C)C(C)C
InChIInChI=1S/C29H37FN2O3Si/c1-17(2)36(18(3)4,19(5)6)35-28-26-24(15-32(7)29(26)34)25(16-33)23-13-21(14-31-27(23)28)12-20-8-10-22(30)11-9-20/h8-11,13-15,17-19,33-34H,12,16H2,1-7H3
InChIKeyWYCBPHNQDBLYSZ-UHFFFAOYSA-N
XLogP7.21
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Indol-1-ylmethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145965949
5-[(7-Methylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145967324
5-[(6-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145972499
5-[(5-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145975872
5-[(2-Methylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145976281
5-[(4-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145976969
5-[(2,3-Dimethylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145977840
5-[(7-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145966841
5-[(2-Ethylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145972778
3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 57969374
5-Ethyl-7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]quinolin-8-ol
CID 89232498
2-[3-[(4-Fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]acetamide
CID 90690674

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol (CID 90766860) is 3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol is CC(C)[Si](Oc1c2ncc(Cc3ccc(F)cc3)cc2c(CO)c2cn(C)c(O)c12)(C(C)C)C(C)C.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol?
The InChIKey is WYCBPHNQDBLYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN2O3Si/c1-17(2)36(18(3)4,19(5)6)35-28-26-24(15-32(7)29(26)34)25(16-33)23-13-21(14-31-27(23)28)12-20-8-10-22(30)11-9-20/h8-11,13-15,17-19,33-34H,12,16H2,1-7H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol?
3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol has a molecular weight of 508.71 g/mol, XLogP of 7.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-7-methyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-ol is sourced from PubChem (CID 90766860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).