8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline

C24H17FN4O3 — CID 46251415

IUPAC8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2ncc3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C24H17FN4O3/c1-2-32-19-11-12-22-20(13-19)24-21(14-26-22)23(15-3-7-18(8-4-15)29(30)31)27-28(24)17-9-5-16(25)6-10-17/h3-14H,2H2,1H3
InChIKeyRVACUOAPHFZTCI-UHFFFAOYSA-N
MW428.42 g/mol
LogP5.69
Rot. Bonds5

About 8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline

8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 46251415) has the molecular formula C24H17FN4O3 and a molecular weight of 428.42 g/mol. Its IUPAC name is 8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline
PubChem CID46251415
Molecular FormulaC24H17FN4O3
Molecular Weight428.42 g/mol
Exact Mass428.13
IUPAC Name8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2ncc3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C24H17FN4O3/c1-2-32-19-11-12-22-20(13-19)24-21(14-26-22)23(15-3-7-18(8-4-15)29(30)31)27-28(24)17-9-5-16(25)6-10-17/h3-14H,2H2,1H3
InChIKeyRVACUOAPHFZTCI-UHFFFAOYSA-N
XLogP5.69
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.42
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline (CID 46251415) is 8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline is CCOc1ccc2ncc3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccc(F)cc4)c3c2c1.
What is the InChIKey of 8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is RVACUOAPHFZTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O3/c1-2-32-19-11-12-22-20(13-19)24-21(14-26-22)23(15-3-7-18(8-4-15)29(30)31)27-28(24)17-9-5-16(25)6-10-17/h3-14H,2H2,1H3.
What are the key properties of 8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline?
8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 428.42 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 46251415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).