3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline

C22H13ClFN3 — CID 20852861

IUPAC3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline
SMILESFc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C22H13ClFN3/c23-15-8-6-14(7-9-15)21-19-13-25-20-11-10-16(24)12-18(20)22(19)27(26-21)17-4-2-1-3-5-17/h1-13H
InChIKeyLQGYTIFEJPIXTP-UHFFFAOYSA-N
MW373.82 g/mol
LogP6.03
Rot. Bonds2

About 3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline

3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline (PubChem CID 20852861) has the molecular formula C22H13ClFN3 and a molecular weight of 373.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline
PubChem CID20852861
Molecular FormulaC22H13ClFN3
Molecular Weight373.82 g/mol
Exact Mass373.08
IUPAC Name3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline
SMILESFc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C22H13ClFN3/c23-15-8-6-14(7-9-15)21-19-13-25-20-11-10-16(24)12-18(20)22(19)27(26-21)17-4-2-1-3-5-17/h1-13H
InChIKeyLQGYTIFEJPIXTP-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 3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline (CID 20852861) is 3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline is Fc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccccc4)c3c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is LQGYTIFEJPIXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN3/c23-15-8-6-14(7-9-15)21-19-13-25-20-11-10-16(24)12-18(20)22(19)27(26-21)17-4-2-1-3-5-17/h1-13H.
What are the key properties of 3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline?
3-(4-chlorophenyl)-8-fluoro-1-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 3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).