3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline

C25H20FN3O — CID 2135563

IUPAC3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(C)ccc32)cc1
InChIInChI=1S/C25H20FN3O/c1-16-3-12-23-21(13-16)25-22(24(27-28-25)18-6-8-19(26)9-7-18)15-29(23)14-17-4-10-20(30-2)11-5-17/h3-13,15H,14H2,1-2H3
InChIKeyHYNJXEQOEHEPQI-UHFFFAOYSA-N
MW397.45 g/mol
LogP5.71
Rot. Bonds4

About 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline

3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline (PubChem CID 2135563) has the molecular formula C25H20FN3O and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline
PubChem CID2135563
Molecular FormulaC25H20FN3O
Molecular Weight397.45 g/mol
Exact Mass397.16
IUPAC Name3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(C)ccc32)cc1
InChIInChI=1S/C25H20FN3O/c1-16-3-12-23-21(13-16)25-22(24(27-28-25)18-6-8-19(26)9-7-18)15-29(23)14-17-4-10-20(30-2)11-5-17/h3-13,15H,14H2,1-2H3
InChIKeyHYNJXEQOEHEPQI-UHFFFAOYSA-N
XLogP5.71
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline (CID 2135563) is 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline is COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(C)ccc32)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline?
The InChIKey is HYNJXEQOEHEPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O/c1-16-3-12-23-21(13-16)25-22(24(27-28-25)18-6-8-19(26)9-7-18)15-29(23)14-17-4-10-20(30-2)11-5-17/h3-13,15H,14H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline?
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline has a molecular weight of 397.45 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2135563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).