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

C23H15ClFN3 — CID 20852872

IUPAC3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
SMILESCc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C23H15ClFN3/c1-14-2-11-21-19(12-14)23-20(13-26-21)22(15-3-5-16(24)6-4-15)27-28(23)18-9-7-17(25)8-10-18/h2-13H,1H3
InChIKeyIWNCOVXKUCFEQH-UHFFFAOYSA-N
MW387.85 g/mol
LogP6.34
Rot. Bonds2

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

3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline (PubChem CID 20852872) has the molecular formula C23H15ClFN3 and a molecular weight of 387.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
PubChem CID20852872
Molecular FormulaC23H15ClFN3
Molecular Weight387.85 g/mol
Exact Mass387.09
IUPAC Name3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
SMILESCc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C23H15ClFN3/c1-14-2-11-21-19(12-14)23-20(13-26-21)22(15-3-5-16(24)6-4-15)27-28(23)18-9-7-17(25)8-10-18/h2-13H,1H3
InChIKeyIWNCOVXKUCFEQH-UHFFFAOYSA-N
XLogP6.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.85
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline (CID 20852872) is 3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline is Cc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4)c3c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
The InChIKey is IWNCOVXKUCFEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3/c1-14-2-11-21-19(12-14)23-20(13-26-21)22(15-3-5-16(24)6-4-15)27-28(23)18-9-7-17(25)8-10-18/h2-13H,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline has a molecular weight of 387.85 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).