8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline

C23H15F2N3O — CID 20852834

IUPAC8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)c1
InChIInChI=1S/C23H15F2N3O/c1-29-18-4-2-3-14(11-18)22-20-13-26-21-10-7-16(25)12-19(21)23(20)28(27-22)17-8-5-15(24)6-9-17/h2-13H,1H3
InChIKeyOJYQTHZVSNKYLE-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.53
Rot. Bonds3

About 8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline

8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852834) has the molecular formula C23H15F2N3O and a molecular weight of 387.39 g/mol. Its IUPAC name is 8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852834
Molecular FormulaC23H15F2N3O
Molecular Weight387.39 g/mol
Exact Mass387.12
IUPAC Name8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)c1
InChIInChI=1S/C23H15F2N3O/c1-29-18-4-2-3-14(11-18)22-20-13-26-21-10-7-16(25)12-19(21)23(20)28(27-22)17-8-5-15(24)6-9-17/h2-13H,1H3
InChIKeyOJYQTHZVSNKYLE-UHFFFAOYSA-N
XLogP5.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline (CID 20852834) is 8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline is COc1cccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)c1.
What is the InChIKey of 8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is OJYQTHZVSNKYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O/c1-29-18-4-2-3-14(11-18)22-20-13-26-21-10-7-16(25)12-19(21)23(20)28(27-22)17-8-5-15(24)6-9-17/h2-13H,1H3.
What are the key properties of 8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 387.39 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).