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

C24H17ClFN3 — CID 20852732

IUPAC1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
SMILESCc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1
InChIInChI=1S/C24H17ClFN3/c1-14-3-10-22-19(11-14)24-20(13-27-22)23(16-5-7-17(26)8-6-16)28-29(24)18-9-4-15(2)21(25)12-18/h3-13H,1-2H3
InChIKeyAIJNAIQVIMFURE-UHFFFAOYSA-N
MW401.87 g/mol
LogP6.65
Rot. Bonds2

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

1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline (PubChem CID 20852732) has the molecular formula C24H17ClFN3 and a molecular weight of 401.87 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
PubChem CID20852732
Molecular FormulaC24H17ClFN3
Molecular Weight401.87 g/mol
Exact Mass401.11
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
SMILESCc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1
InChIInChI=1S/C24H17ClFN3/c1-14-3-10-22-19(11-14)24-20(13-27-22)23(16-5-7-17(26)8-6-16)28-29(24)18-9-4-15(2)21(25)12-18/h3-13H,1-2H3
InChIKeyAIJNAIQVIMFURE-UHFFFAOYSA-N
XLogP6.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.87
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline (CID 20852732) is 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline is Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
The InChIKey is AIJNAIQVIMFURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3/c1-14-3-10-22-19(11-14)24-20(13-27-22)23(16-5-7-17(26)8-6-16)28-29(24)18-9-4-15(2)21(25)12-18/h3-13H,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline has a molecular weight of 401.87 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).