1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline

C24H17ClFN3O2 — CID 20852858

IUPAC1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline
SMILESCOc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(F)cc23)cc1OC
InChIInChI=1S/C24H17ClFN3O2/c1-30-21-10-3-14(11-22(21)31-2)23-19-13-27-20-9-6-16(26)12-18(20)24(19)29(28-23)17-7-4-15(25)5-8-17/h3-13H,1-2H3
InChIKeyCGJVROWYIVTGAV-UHFFFAOYSA-N
MW433.87 g/mol
LogP6.05
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline

1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline (PubChem CID 20852858) has the molecular formula C24H17ClFN3O2 and a molecular weight of 433.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline
PubChem CID20852858
Molecular FormulaC24H17ClFN3O2
Molecular Weight433.87 g/mol
Exact Mass433.10
IUPAC Name1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline
SMILESCOc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(F)cc23)cc1OC
InChIInChI=1S/C24H17ClFN3O2/c1-30-21-10-3-14(11-22(21)31-2)23-19-13-27-20-9-6-16(26)12-18(20)24(19)29(28-23)17-7-4-15(25)5-8-17/h3-13H,1-2H3
InChIKeyCGJVROWYIVTGAV-UHFFFAOYSA-N
XLogP6.05
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.87
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline (CID 20852858) is 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline is COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(F)cc23)cc1OC.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
The InChIKey is CGJVROWYIVTGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O2/c1-30-21-10-3-14(11-22(21)31-2)23-19-13-27-20-9-6-16(26)12-18(20)24(19)29(28-23)17-7-4-15(25)5-8-17/h3-13H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline has a molecular weight of 433.87 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).