3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

C24H17F2N3 — CID 20852767

IUPAC3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)cc1C
InChIInChI=1S/C24H17F2N3/c1-14-3-4-16(11-15(14)2)23-21-13-27-22-10-7-18(26)12-20(22)24(21)29(28-23)19-8-5-17(25)6-9-19/h3-13H,1-2H3
InChIKeyKSRUQGKFKHVBNH-UHFFFAOYSA-N
MW385.42 g/mol
LogP6.14
Rot. Bonds2

About 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852767) has the molecular formula C24H17F2N3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852767
Molecular FormulaC24H17F2N3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)cc1C
InChIInChI=1S/C24H17F2N3/c1-14-3-4-16(11-15(14)2)23-21-13-27-22-10-7-18(26)12-20(22)24(21)29(28-23)19-8-5-17(25)6-9-19/h3-13H,1-2H3
InChIKeyKSRUQGKFKHVBNH-UHFFFAOYSA-N
XLogP6.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (CID 20852767) is 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is KSRUQGKFKHVBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3/c1-14-3-4-16(11-15(14)2)23-21-13-27-22-10-7-18(26)12-20(22)24(21)29(28-23)19-8-5-17(25)6-9-19/h3-13H,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 385.42 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).