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

C23H15F2N3 — CID 20953396

IUPAC1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
SMILESCc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C23H15F2N3/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
InChIKeyUVABQQSIOAKXNU-UHFFFAOYSA-N
MW371.39 g/mol
LogP5.83
Rot. Bonds2

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

1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline (PubChem CID 20953396) has the molecular formula C23H15F2N3 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
PubChem CID20953396
Molecular FormulaC23H15F2N3
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
SMILESCc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C23H15F2N3/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
InChIKeyUVABQQSIOAKXNU-UHFFFAOYSA-N
XLogP5.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.39
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline (CID 20953396) is 1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline is Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(F)cc4)c3c2c1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
The InChIKey is UVABQQSIOAKXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3/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 1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline has a molecular weight of 371.39 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20953396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).