1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

C24H16F3N3 — CID 20852675

IUPAC1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cc(F)cc4c32)cc1C
InChIInChI=1S/C24H16F3N3/c1-13-3-8-18(9-14(13)2)30-24-19-10-17(26)11-21(27)23(19)28-12-20(24)22(29-30)15-4-6-16(25)7-5-15/h3-12H,1-2H3
InChIKeyLANGNRBUBYUVAX-UHFFFAOYSA-N
MW403.41 g/mol
LogP6.27
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852675) has the molecular formula C24H16F3N3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852675
Molecular FormulaC24H16F3N3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cc(F)cc4c32)cc1C
InChIInChI=1S/C24H16F3N3/c1-13-3-8-18(9-14(13)2)30-24-19-10-17(26)11-21(27)23(19)28-12-20(24)22(29-30)15-4-6-16(25)7-5-15/h3-12H,1-2H3
InChIKeyLANGNRBUBYUVAX-UHFFFAOYSA-N
XLogP6.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.41
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (CID 20852675) is 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cc(F)cc4c32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is LANGNRBUBYUVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3/c1-13-3-8-18(9-14(13)2)30-24-19-10-17(26)11-21(27)23(19)28-12-20(24)22(29-30)15-4-6-16(25)7-5-15/h3-12H,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 403.41 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).