7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline

C23H14F3N3 — CID 15990622

IUPAC7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2cc(F)c(F)cc23)cc1
InChIInChI=1S/C23H14F3N3/c1-13-2-4-14(5-3-13)22-18-12-27-21-11-20(26)19(25)10-17(21)23(18)29(28-22)16-8-6-15(24)7-9-16/h2-12H,1H3
InChIKeyQYPXJMUOZWTORD-UHFFFAOYSA-N
MW389.38 g/mol
LogP5.97
Rot. Bonds2

About 7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline

7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline (PubChem CID 15990622) has the molecular formula C23H14F3N3 and a molecular weight of 389.38 g/mol. Its IUPAC name is 7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline
PubChem CID15990622
Molecular FormulaC23H14F3N3
Molecular Weight389.38 g/mol
Exact Mass389.11
IUPAC Name7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2cc(F)c(F)cc23)cc1
InChIInChI=1S/C23H14F3N3/c1-13-2-4-14(5-3-13)22-18-12-27-21-11-20(26)19(25)10-17(21)23(18)29(28-22)16-8-6-15(24)7-9-16/h2-12H,1H3
InChIKeyQYPXJMUOZWTORD-UHFFFAOYSA-N
XLogP5.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.38
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline?
The IUPAC name of 7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline (CID 15990622) is 7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline.
What is the SMILES notation for 7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline?
The canonical SMILES for 7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline is Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2cc(F)c(F)cc23)cc1.
What is the InChIKey of 7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline?
The InChIKey is QYPXJMUOZWTORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3/c1-13-2-4-14(5-3-13)22-18-12-27-21-11-20(26)19(25)10-17(21)23(18)29(28-22)16-8-6-15(24)7-9-16/h2-12H,1H3.
What are the key properties of 7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline?
7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline has a molecular weight of 389.38 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline is sourced from PubChem (CID 15990622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).