3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline

C24H18FN3 — CID 20852751

IUPAC3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccccc23)cc1C
InChIInChI=1S/C24H18FN3/c1-15-7-8-17(13-16(15)2)23-21-14-26-22-6-4-3-5-20(22)24(21)28(27-23)19-11-9-18(25)10-12-19/h3-14H,1-2H3
InChIKeyKBQCOWVMFMPBOH-UHFFFAOYSA-N
MW367.43 g/mol
LogP6.00
Rot. Bonds2

About 3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline

3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline (PubChem CID 20852751) has the molecular formula C24H18FN3 and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline
PubChem CID20852751
Molecular FormulaC24H18FN3
Molecular Weight367.43 g/mol
Exact Mass367.15
IUPAC Name3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccccc23)cc1C
InChIInChI=1S/C24H18FN3/c1-15-7-8-17(13-16(15)2)23-21-14-26-22-6-4-3-5-20(22)24(21)28(27-23)19-11-9-18(25)10-12-19/h3-14H,1-2H3
InChIKeyKBQCOWVMFMPBOH-UHFFFAOYSA-N
XLogP6.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.43
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline (CID 20852751) is 3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline is Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccccc23)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline?
The InChIKey is KBQCOWVMFMPBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3/c1-15-7-8-17(13-16(15)2)23-21-14-26-22-6-4-3-5-20(22)24(21)28(27-23)19-11-9-18(25)10-12-19/h3-14H,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline?
3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline has a molecular weight of 367.43 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[4,5-c]quinoline is sourced from PubChem (CID 20852751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).