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

C26H22FN3 — CID 20852771

IUPAC1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(F)cc23)cc1C
InChIInChI=1S/C26H22FN3/c1-15-5-7-19(11-17(15)3)25-23-14-28-24-10-8-20(27)13-22(24)26(23)30(29-25)21-9-6-16(2)18(4)12-21/h5-14H,1-4H3
InChIKeyQBGXHDAJRNIMGD-UHFFFAOYSA-N
MW395.48 g/mol
LogP6.61
Rot. Bonds2

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

1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline (PubChem CID 20852771) has the molecular formula C26H22FN3 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
PubChem CID20852771
Molecular FormulaC26H22FN3
Molecular Weight395.48 g/mol
Exact Mass395.18
IUPAC Name1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(F)cc23)cc1C
InChIInChI=1S/C26H22FN3/c1-15-5-7-19(11-17(15)3)25-23-14-28-24-10-8-20(27)13-22(24)26(23)30(29-25)21-9-6-16(2)18(4)12-21/h5-14H,1-4H3
InChIKeyQBGXHDAJRNIMGD-UHFFFAOYSA-N
XLogP6.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
The IUPAC name of 1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline (CID 20852771) is 1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
The canonical SMILES for 1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline is Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(F)cc23)cc1C.
What is the InChIKey of 1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
The InChIKey is QBGXHDAJRNIMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3/c1-15-5-7-19(11-17(15)3)25-23-14-28-24-10-8-20(27)13-22(24)26(23)30(29-25)21-9-6-16(2)18(4)12-21/h5-14H,1-4H3.
What are the key properties of 1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline has a molecular weight of 395.48 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).