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

C25H19ClFN3 — CID 20852766

IUPAC1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(F)cc23)cc1C
InChIInChI=1S/C25H19ClFN3/c1-14-4-6-17(10-16(14)3)24-21-13-28-23-9-7-18(27)11-20(23)25(21)30(29-24)19-8-5-15(2)22(26)12-19/h4-13H,1-3H3
InChIKeyYXBGXBGNRUFAHG-UHFFFAOYSA-N
MW415.90 g/mol
LogP6.96
Rot. Bonds2

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

1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline (PubChem CID 20852766) has the molecular formula C25H19ClFN3 and a molecular weight of 415.90 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
PubChem CID20852766
Molecular FormulaC25H19ClFN3
Molecular Weight415.90 g/mol
Exact Mass415.13
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(F)cc23)cc1C
InChIInChI=1S/C25H19ClFN3/c1-14-4-6-17(10-16(14)3)24-21-13-28-23-9-7-18(27)11-20(23)25(21)30(29-24)19-8-5-15(2)22(26)12-19/h4-13H,1-3H3
InChIKeyYXBGXBGNRUFAHG-UHFFFAOYSA-N
XLogP6.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.90
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline (CID 20852766) is 1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline is Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(F)cc23)cc1C.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
The InChIKey is YXBGXBGNRUFAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3/c1-14-4-6-17(10-16(14)3)24-21-13-28-23-9-7-18(27)11-20(23)25(21)30(29-24)19-8-5-15(2)22(26)12-19/h4-13H,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline?
1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline has a molecular weight of 415.90 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).