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

C22H12BrF2N3 — CID 20852938

IUPAC3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESFc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4c(F)cccc4c32)cc1
InChIInChI=1S/C22H12BrF2N3/c23-14-4-1-3-13(11-14)20-18-12-26-21-17(5-2-6-19(21)25)22(18)28(27-20)16-9-7-15(24)8-10-16/h1-12H
InChIKeyPLWYDPINYRKPOI-UHFFFAOYSA-N
MW436.26 g/mol
LogP6.28
Rot. Bonds2

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

3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852938) has the molecular formula C22H12BrF2N3 and a molecular weight of 436.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852938
Molecular FormulaC22H12BrF2N3
Molecular Weight436.26 g/mol
Exact Mass435.02
IUPAC Name3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESFc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4c(F)cccc4c32)cc1
InChIInChI=1S/C22H12BrF2N3/c23-14-4-1-3-13(11-14)20-18-12-26-21-17(5-2-6-19(21)25)22(18)28(27-20)16-9-7-15(24)8-10-16/h1-12H
InChIKeyPLWYDPINYRKPOI-UHFFFAOYSA-N
XLogP6.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.26
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (CID 20852938) is 3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is Fc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4c(F)cccc4c32)cc1.
What is the InChIKey of 3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is PLWYDPINYRKPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12BrF2N3/c23-14-4-1-3-13(11-14)20-18-12-26-21-17(5-2-6-19(21)25)22(18)28(27-20)16-9-7-15(24)8-10-16/h1-12H.
What are the key properties of 3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 436.26 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).