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

C20H17FN4O2 — CID 53132392

IUPAC2-(4-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCCCNC(=O)c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1
InChIInChI=1S/C20H17FN4O2/c1-2-9-22-19(26)12-3-8-17-15(10-12)18-16(11-23-17)20(27)25(24-18)14-6-4-13(21)5-7-14/h3-8,10-11,24H,2,9H2,1H3,(H,22,26)
InChIKeyBBLGYGUDICZMSU-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.15
Rot. Bonds4

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

2-(4-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132392) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132392
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name2-(4-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCCCNC(=O)c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1
InChIInChI=1S/C20H17FN4O2/c1-2-9-22-19(26)12-3-8-17-15(10-12)18-16(11-23-17)20(27)25(24-18)14-6-4-13(21)5-7-14/h3-8,10-11,24H,2,9H2,1H3,(H,22,26)
InChIKeyBBLGYGUDICZMSU-UHFFFAOYSA-N
XLogP3.15
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.15
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-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132392) is 2-(4-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is CCCNC(=O)c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is BBLGYGUDICZMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-2-9-22-19(26)12-3-8-17-15(10-12)18-16(11-23-17)20(27)25(24-18)14-6-4-13(21)5-7-14/h3-8,10-11,24H,2,9H2,1H3,(H,22,26).
What are the key properties of 2-(4-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
2-(4-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).