1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline

C26H22FN3 — CID 20852806

IUPAC1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
SMILESCCc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(F)cc23)cc1
InChIInChI=1S/C26H22FN3/c1-4-18-6-8-19(9-7-18)25-23-15-28-24-12-10-20(27)14-22(24)26(23)30(29-25)21-11-5-16(2)17(3)13-21/h5-15H,4H2,1-3H3
InChIKeyHKPNXSSMBUIZSG-UHFFFAOYSA-N
MW395.48 g/mol
LogP6.56
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline

1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline (PubChem CID 20852806) has the molecular formula C26H22FN3 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
PubChem CID20852806
Molecular FormulaC26H22FN3
Molecular Weight395.48 g/mol
Exact Mass395.18
IUPAC Name1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
SMILESCCc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(F)cc23)cc1
InChIInChI=1S/C26H22FN3/c1-4-18-6-8-19(9-7-18)25-23-15-28-24-12-10-20(27)14-22(24)26(23)30(29-25)21-11-5-16(2)17(3)13-21/h5-15H,4H2,1-3H3
InChIKeyHKPNXSSMBUIZSG-UHFFFAOYSA-N
XLogP6.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 56.56
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)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline (CID 20852806) is 1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline is CCc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(F)cc23)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
The InChIKey is HKPNXSSMBUIZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3/c1-4-18-6-8-19(9-7-18)25-23-15-28-24-12-10-20(27)14-22(24)26(23)30(29-25)21-11-5-16(2)17(3)13-21/h5-15H,4H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline has a molecular weight of 395.48 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).