3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

C24H17F2N3O — CID 15990646

IUPAC3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)cc1
InChIInChI=1S/C24H17F2N3O/c1-2-30-19-10-3-15(4-11-19)23-21-14-27-22-12-7-17(26)13-20(22)24(21)29(28-23)18-8-5-16(25)6-9-18/h3-14H,2H2,1H3
InChIKeyPRFNRFKDQLFRPE-UHFFFAOYSA-N
MW401.42 g/mol
LogP5.92
Rot. Bonds4

About 3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 15990646) has the molecular formula C24H17F2N3O and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
PubChem CID15990646
Molecular FormulaC24H17F2N3O
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)cc1
InChIInChI=1S/C24H17F2N3O/c1-2-30-19-10-3-15(4-11-19)23-21-14-27-22-12-7-17(26)13-20(22)24(21)29(28-23)18-8-5-16(25)6-9-18/h3-14H,2H2,1H3
InChIKeyPRFNRFKDQLFRPE-UHFFFAOYSA-N
XLogP5.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (CID 15990646) is 3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is CCOc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is PRFNRFKDQLFRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O/c1-2-30-19-10-3-15(4-11-19)23-21-14-27-22-12-7-17(26)13-20(22)24(21)29(28-23)18-8-5-16(25)6-9-18/h3-14H,2H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 401.42 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 15990646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).