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

C24H17F2N3O2 — CID 15990644

IUPAC3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)cc1OC
InChIInChI=1S/C24H17F2N3O2/c1-30-21-10-3-14(11-22(21)31-2)23-19-13-27-20-9-6-16(26)12-18(20)24(19)29(28-23)17-7-4-15(25)5-8-17/h3-13H,1-2H3
InChIKeyLSRWLUVOFCZCBN-UHFFFAOYSA-N
MW417.42 g/mol
LogP5.54
Rot. Bonds4

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

3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 15990644) has the molecular formula C24H17F2N3O2 and a molecular weight of 417.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
PubChem CID15990644
Molecular FormulaC24H17F2N3O2
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)cc1OC
InChIInChI=1S/C24H17F2N3O2/c1-30-21-10-3-14(11-22(21)31-2)23-19-13-27-20-9-6-16(26)12-18(20)24(19)29(28-23)17-7-4-15(25)5-8-17/h3-13H,1-2H3
InChIKeyLSRWLUVOFCZCBN-UHFFFAOYSA-N
XLogP5.54
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (CID 15990644) is 3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is COc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is LSRWLUVOFCZCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O2/c1-30-21-10-3-14(11-22(21)31-2)23-19-13-27-20-9-6-16(26)12-18(20)24(19)29(28-23)17-7-4-15(25)5-8-17/h3-13H,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 417.42 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 15990644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).