1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline

C22H13ClFN3 — CID 20852530

IUPAC1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline
SMILESFc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3cccc(Cl)c3)c12
InChIInChI=1S/C22H13ClFN3/c23-15-7-4-8-17(11-15)27-22-18-10-9-16(24)12-20(18)25-13-19(22)21(26-27)14-5-2-1-3-6-14/h1-13H
InChIKeyPUXHUEJDDBWCEQ-UHFFFAOYSA-N
MW373.82 g/mol
LogP6.03
Rot. Bonds2

About 1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline

1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 20852530) has the molecular formula C22H13ClFN3 and a molecular weight of 373.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID20852530
Molecular FormulaC22H13ClFN3
Molecular Weight373.82 g/mol
Exact Mass373.08
IUPAC Name1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline
SMILESFc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3cccc(Cl)c3)c12
InChIInChI=1S/C22H13ClFN3/c23-15-7-4-8-17(11-15)27-22-18-10-9-16(24)12-20(18)25-13-19(22)21(26-27)14-5-2-1-3-6-14/h1-13H
InChIKeyPUXHUEJDDBWCEQ-UHFFFAOYSA-N
XLogP6.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.82
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline (CID 20852530) is 1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline is Fc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3cccc(Cl)c3)c12.
What is the InChIKey of 1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is PUXHUEJDDBWCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN3/c23-15-7-4-8-17(11-15)27-22-18-10-9-16(24)12-20(18)25-13-19(22)21(26-27)14-5-2-1-3-6-14/h1-13H.
What are the key properties of 1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline?
1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 373.82 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).