N-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

C22H19FN4O2 — CID 53132412

IUPACN-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1
InChIInChI=1S/C22H19FN4O2/c23-14-6-8-16(9-7-14)27-22(29)18-12-24-19-10-5-13(11-17(19)20(18)26-27)21(28)25-15-3-1-2-4-15/h5-12,15,26H,1-4H2,(H,25,28)
InChIKeyDNXZDSCIFQFADG-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.68
Rot. Bonds3

About N-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

N-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132412) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132412
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC NameN-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1
InChIInChI=1S/C22H19FN4O2/c23-14-6-8-16(9-7-14)27-22(29)18-12-24-19-10-5-13(11-17(19)20(18)26-27)21(28)25-15-3-1-2-4-15/h5-12,15,26H,1-4H2,(H,25,28)
InChIKeyDNXZDSCIFQFADG-UHFFFAOYSA-N
XLogP3.68
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.68
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 N-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132412) is N-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is O=C(NC1CCCC1)c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1.
What is the InChIKey of N-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is DNXZDSCIFQFADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-14-6-8-16(9-7-14)27-22(29)18-12-24-19-10-5-13(11-17(19)20(18)26-27)21(28)25-15-3-1-2-4-15/h5-12,15,26H,1-4H2,(H,25,28).
What are the key properties of N-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
N-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).