6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

C22H12ClF2N3 — CID 20852640

IUPAC6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESFc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2c(Cl)cccc23)cc1
InChIInChI=1S/C22H12ClF2N3/c23-19-6-2-5-17-21(19)26-12-18-20(13-7-9-14(24)10-8-13)27-28(22(17)18)16-4-1-3-15(25)11-16/h1-12H
InChIKeyZAMPEMKNFVHEMR-UHFFFAOYSA-N
MW391.81 g/mol
LogP6.17
Rot. Bonds2

About 6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852640) has the molecular formula C22H12ClF2N3 and a molecular weight of 391.81 g/mol. Its IUPAC name is 6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852640
Molecular FormulaC22H12ClF2N3
Molecular Weight391.81 g/mol
Exact Mass391.07
IUPAC Name6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESFc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2c(Cl)cccc23)cc1
InChIInChI=1S/C22H12ClF2N3/c23-19-6-2-5-17-21(19)26-12-18-20(13-7-9-14(24)10-8-13)27-28(22(17)18)16-4-1-3-15(25)11-16/h1-12H
InChIKeyZAMPEMKNFVHEMR-UHFFFAOYSA-N
XLogP6.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.81
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (CID 20852640) is 6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is Fc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2c(Cl)cccc23)cc1.
What is the InChIKey of 6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is ZAMPEMKNFVHEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClF2N3/c23-19-6-2-5-17-21(19)26-12-18-20(13-7-9-14(24)10-8-13)27-28(22(17)18)16-4-1-3-15(25)11-16/h1-12H.
What are the key properties of 6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 391.81 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).