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

C20H17FN4O2 — CID 53132409

IUPAC2-(4-fluorophenyl)-3-oxo-N-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCC(C)NC(=O)c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1
InChIInChI=1S/C20H17FN4O2/c1-11(2)23-19(26)12-3-8-17-15(9-12)18-16(10-22-17)20(27)25(24-18)14-6-4-13(21)5-7-14/h3-11,24H,1-2H3,(H,23,26)
InChIKeyVJVPQUDCDIXNKP-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.14
Rot. Bonds3

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

2-(4-fluorophenyl)-3-oxo-N-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132409) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-oxo-N-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-oxo-N-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132409
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name2-(4-fluorophenyl)-3-oxo-N-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCC(C)NC(=O)c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1
InChIInChI=1S/C20H17FN4O2/c1-11(2)23-19(26)12-3-8-17-15(9-12)18-16(10-22-17)20(27)25(24-18)14-6-4-13(21)5-7-14/h3-11,24H,1-2H3,(H,23,26)
InChIKeyVJVPQUDCDIXNKP-UHFFFAOYSA-N
XLogP3.14
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.14
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-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-oxo-N-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132409) is 2-(4-fluorophenyl)-3-oxo-N-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-oxo-N-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-oxo-N-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is CC(C)NC(=O)c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-3-oxo-N-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is VJVPQUDCDIXNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-11(2)23-19(26)12-3-8-17-15(9-12)18-16(10-22-17)20(27)25(24-18)14-6-4-13(21)5-7-14/h3-11,24H,1-2H3,(H,23,26).
What are the key properties of 2-(4-fluorophenyl)-3-oxo-N-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
2-(4-fluorophenyl)-3-oxo-N-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.14, 3 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-propan-2-yl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).