5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline

C25H20FN3O2 — CID 2136878

IUPAC5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline
SMILESCOc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccccc3)c2cc1OC
InChIInChI=1S/C25H20FN3O2/c1-30-22-12-19-21(13-23(22)31-2)29(14-16-6-4-3-5-7-16)15-20-24(27-28-25(19)20)17-8-10-18(26)11-9-17/h3-13,15H,14H2,1-2H3
InChIKeyOGBSYIBKUOKZLS-UHFFFAOYSA-N
MW413.45 g/mol
LogP5.41
Rot. Bonds5

About 5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline

5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline (PubChem CID 2136878) has the molecular formula C25H20FN3O2 and a molecular weight of 413.45 g/mol. Its IUPAC name is 5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline
PubChem CID2136878
Molecular FormulaC25H20FN3O2
Molecular Weight413.45 g/mol
Exact Mass413.15
IUPAC Name5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline
SMILESCOc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccccc3)c2cc1OC
InChIInChI=1S/C25H20FN3O2/c1-30-22-12-19-21(13-23(22)31-2)29(14-16-6-4-3-5-7-16)15-20-24(27-28-25(19)20)17-8-10-18(26)11-9-17/h3-13,15H,14H2,1-2H3
InChIKeyOGBSYIBKUOKZLS-UHFFFAOYSA-N
XLogP5.41
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline?
The IUPAC name of 5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline (CID 2136878) is 5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline.
What is the SMILES notation for 5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline?
The canonical SMILES for 5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline is COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccccc3)c2cc1OC.
What is the InChIKey of 5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline?
The InChIKey is OGBSYIBKUOKZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2/c1-30-22-12-19-21(13-23(22)31-2)29(14-16-6-4-3-5-7-16)15-20-24(27-28-25(19)20)17-8-10-18(26)11-9-17/h3-13,15H,14H2,1-2H3.
What are the key properties of 5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline?
5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline has a molecular weight of 413.45 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2136878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).