3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

C24H17ClFN3 — CID 20852887

IUPAC3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCCc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C24H17ClFN3/c1-2-15-3-12-22-20(13-15)24-21(14-27-22)23(16-4-6-17(25)7-5-16)28-29(24)19-10-8-18(26)9-11-19/h3-14H,2H2,1H3
InChIKeyJJHLGWXGIABNGO-UHFFFAOYSA-N
MW401.87 g/mol
LogP6.60
Rot. Bonds3

About 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852887) has the molecular formula C24H17ClFN3 and a molecular weight of 401.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852887
Molecular FormulaC24H17ClFN3
Molecular Weight401.87 g/mol
Exact Mass401.11
IUPAC Name3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCCc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C24H17ClFN3/c1-2-15-3-12-22-20(13-15)24-21(14-27-22)23(16-4-6-17(25)7-5-16)28-29(24)19-10-8-18(26)9-11-19/h3-14H,2H2,1H3
InChIKeyJJHLGWXGIABNGO-UHFFFAOYSA-N
XLogP6.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.87
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (CID 20852887) is 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is CCc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4)c3c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is JJHLGWXGIABNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3/c1-2-15-3-12-22-20(13-15)24-21(14-27-22)23(16-4-6-17(25)7-5-16)28-29(24)19-10-8-18(26)9-11-19/h3-14H,2H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 401.87 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).