2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

C24H16ClFN4O2 — CID 53132537

IUPAC2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c3c2)cc1F
InChIInChI=1S/C24H16ClFN4O2/c1-13-2-6-16(11-20(13)26)28-23(31)14-3-9-21-18(10-14)22-19(12-27-21)24(32)30(29-22)17-7-4-15(25)5-8-17/h2-12,29H,1H3,(H,28,31)
InChIKeyGHDLHWSAGYXHRN-UHFFFAOYSA-N
MW446.87 g/mol
LogP5.22
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132537) has the molecular formula C24H16ClFN4O2 and a molecular weight of 446.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132537
Molecular FormulaC24H16ClFN4O2
Molecular Weight446.87 g/mol
Exact Mass446.09
IUPAC Name2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c3c2)cc1F
InChIInChI=1S/C24H16ClFN4O2/c1-13-2-6-16(11-20(13)26)28-23(31)14-3-9-21-18(10-14)22-19(12-27-21)24(32)30(29-22)17-7-4-15(25)5-8-17/h2-12,29H,1H3,(H,28,31)
InChIKeyGHDLHWSAGYXHRN-UHFFFAOYSA-N
XLogP5.22
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.87
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132537) is 2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is Cc1ccc(NC(=O)c2ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c3c2)cc1F.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is GHDLHWSAGYXHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4O2/c1-13-2-6-16(11-20(13)26)28-23(31)14-3-9-21-18(10-14)22-19(12-27-21)24(32)30(29-22)17-7-4-15(25)5-8-17/h2-12,29H,1H3,(H,28,31).
What are the key properties of 2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 446.87 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).