8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

C24H17ClFN3 — CID 20852742

IUPAC8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCc1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccc(Cl)cc4c32)c1C
InChIInChI=1S/C24H17ClFN3/c1-14-4-3-5-22(15(14)2)29-24-19-12-17(25)8-11-21(19)27-13-20(24)23(28-29)16-6-9-18(26)10-7-16/h3-13H,1-2H3
InChIKeyDHECVPAPMXYGSF-UHFFFAOYSA-N
MW401.87 g/mol
LogP6.65
Rot. Bonds2

About 8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852742) has the molecular formula C24H17ClFN3 and a molecular weight of 401.87 g/mol. Its IUPAC name is 8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852742
Molecular FormulaC24H17ClFN3
Molecular Weight401.87 g/mol
Exact Mass401.11
IUPAC Name8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCc1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccc(Cl)cc4c32)c1C
InChIInChI=1S/C24H17ClFN3/c1-14-4-3-5-22(15(14)2)29-24-19-12-17(25)8-11-21(19)27-13-20(24)23(28-29)16-6-9-18(26)10-7-16/h3-13H,1-2H3
InChIKeyDHECVPAPMXYGSF-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 8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (CID 20852742) is 8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is Cc1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccc(Cl)cc4c32)c1C.
What is the InChIKey of 8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is DHECVPAPMXYGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3/c1-14-4-3-5-22(15(14)2)29-24-19-12-17(25)8-11-21(19)27-13-20(24)23(28-29)16-6-9-18(26)10-7-16/h3-13H,1-2H3.
What are the key properties of 8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[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 8-chloro-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).