3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline

C25H20FN3O — CID 20868724

IUPAC3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc(-c2nnc3c4ccccc4n(Cc4ccccc4F)cc2-3)cc1
InChIInChI=1S/C25H20FN3O/c1-2-30-19-13-11-17(12-14-19)24-21-16-29(15-18-7-3-5-9-22(18)26)23-10-6-4-8-20(23)25(21)28-27-24/h3-14,16H,2,15H2,1H3
InChIKeySXIGMAXOZQZCMD-UHFFFAOYSA-N
MW397.45 g/mol
LogP5.79
Rot. Bonds5

About 3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline

3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline (PubChem CID 20868724) has the molecular formula C25H20FN3O and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
PubChem CID20868724
Molecular FormulaC25H20FN3O
Molecular Weight397.45 g/mol
Exact Mass397.16
IUPAC Name3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc(-c2nnc3c4ccccc4n(Cc4ccccc4F)cc2-3)cc1
InChIInChI=1S/C25H20FN3O/c1-2-30-19-13-11-17(12-14-19)24-21-16-29(15-18-7-3-5-9-22(18)26)23-10-6-4-8-20(23)25(21)28-27-24/h3-14,16H,2,15H2,1H3
InChIKeySXIGMAXOZQZCMD-UHFFFAOYSA-N
XLogP5.79
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline (CID 20868724) is 3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline is CCOc1ccc(-c2nnc3c4ccccc4n(Cc4ccccc4F)cc2-3)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
The InChIKey is SXIGMAXOZQZCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O/c1-2-30-19-13-11-17(12-14-19)24-21-16-29(15-18-7-3-5-9-22(18)26)23-10-6-4-8-20(23)25(21)28-27-24/h3-14,16H,2,15H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline has a molecular weight of 397.45 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20868724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).