8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline

C23H14F3N3 — CID 2135550

IUPAC8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESFc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4ccccc4F)cc2-3)cc1
InChIInChI=1S/C23H14F3N3/c24-16-7-5-14(6-8-16)22-19-13-29(12-15-3-1-2-4-20(15)26)21-10-9-17(25)11-18(21)23(19)28-27-22/h1-11,13H,12H2
InChIKeyRXJPUDOLLVMVGZ-UHFFFAOYSA-N
MW389.38 g/mol
LogP5.67
Rot. Bonds3

About 8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline

8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline (PubChem CID 2135550) has the molecular formula C23H14F3N3 and a molecular weight of 389.38 g/mol. Its IUPAC name is 8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
PubChem CID2135550
Molecular FormulaC23H14F3N3
Molecular Weight389.38 g/mol
Exact Mass389.11
IUPAC Name8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESFc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4ccccc4F)cc2-3)cc1
InChIInChI=1S/C23H14F3N3/c24-16-7-5-14(6-8-16)22-19-13-29(12-15-3-1-2-4-20(15)26)21-10-9-17(25)11-18(21)23(19)28-27-22/h1-11,13H,12H2
InChIKeyRXJPUDOLLVMVGZ-UHFFFAOYSA-N
XLogP5.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.38
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
The IUPAC name of 8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline (CID 2135550) is 8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline is Fc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4ccccc4F)cc2-3)cc1.
What is the InChIKey of 8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
The InChIKey is RXJPUDOLLVMVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3/c24-16-7-5-14(6-8-16)22-19-13-29(12-15-3-1-2-4-20(15)26)21-10-9-17(25)11-18(21)23(19)28-27-22/h1-11,13H,12H2.
What are the key properties of 8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline has a molecular weight of 389.38 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2135550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).