3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline

C24H17FN4O2 — CID 46251445

IUPAC3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESCCc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(F)cc23)cc1
InChIInChI=1S/C24H17FN4O2/c1-2-15-6-8-16(9-7-15)23-21-14-26-22-11-10-17(25)12-20(22)24(21)28(27-23)18-4-3-5-19(13-18)29(30)31/h3-14H,2H2,1H3
InChIKeyWJHAYQFHTXURHF-UHFFFAOYSA-N
MW412.42 g/mol
LogP5.85
Rot. Bonds4

About 3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline

3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 46251445) has the molecular formula C24H17FN4O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
PubChem CID46251445
Molecular FormulaC24H17FN4O2
Molecular Weight412.42 g/mol
Exact Mass412.13
IUPAC Name3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESCCc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(F)cc23)cc1
InChIInChI=1S/C24H17FN4O2/c1-2-15-6-8-16(9-7-15)23-21-14-26-22-11-10-17(25)12-20(22)24(21)28(27-23)18-4-3-5-19(13-18)29(30)31/h3-14H,2H2,1H3
InChIKeyWJHAYQFHTXURHF-UHFFFAOYSA-N
XLogP5.85
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline (CID 46251445) is 3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline is CCc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(F)cc23)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is WJHAYQFHTXURHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2/c1-2-15-6-8-16(9-7-15)23-21-14-26-22-11-10-17(25)12-20(22)24(21)28(27-23)18-4-3-5-19(13-18)29(30)31/h3-14H,2H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 412.42 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 46251445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).