3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide

C25H19FN4O2 — CID 174494762

IUPAC3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(-n2[nH]c3c(cnc4c(F)cccc43)c2=O)c1
InChIInChI=1S/C25H19FN4O2/c26-21-11-5-10-19-22-20(15-28-23(19)21)25(32)30(29-22)18-9-4-8-17(14-18)24(31)27-13-12-16-6-2-1-3-7-16/h1-11,14-15,29H,12-13H2,(H,27,31)
InChIKeyADIHJDHCHLILEZ-UHFFFAOYSA-N
MW426.45 g/mol
LogP3.98
Rot. Bonds5

About 3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide

3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide (PubChem CID 174494762) has the molecular formula C25H19FN4O2 and a molecular weight of 426.45 g/mol. Its IUPAC name is 3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide
PubChem CID174494762
Molecular FormulaC25H19FN4O2
Molecular Weight426.45 g/mol
Exact Mass426.15
IUPAC Name3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(-n2[nH]c3c(cnc4c(F)cccc43)c2=O)c1
InChIInChI=1S/C25H19FN4O2/c26-21-11-5-10-19-22-20(15-28-23(19)21)25(32)30(29-22)18-9-4-8-17(14-18)24(31)27-13-12-16-6-2-1-3-7-16/h1-11,14-15,29H,12-13H2,(H,27,31)
InChIKeyADIHJDHCHLILEZ-UHFFFAOYSA-N
XLogP3.98
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 53.98
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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Related Compounds

N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide
CID 22021872
N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132430
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-phenylethyl)benzamide
CID 98093023
2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132534
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-benzyl-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 9253229
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
CID 42347308
N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132469

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide (CID 174494762) is 3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cccc(-n2[nH]c3c(cnc4c(F)cccc43)c2=O)c1.
What is the InChIKey of 3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide?
The InChIKey is ADIHJDHCHLILEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2/c26-21-11-5-10-19-22-20(15-28-23(19)21)25(32)30(29-22)18-9-4-8-17(14-18)24(31)27-13-12-16-6-2-1-3-7-16/h1-11,14-15,29H,12-13H2,(H,27,31).
What are the key properties of 3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide?
3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide has a molecular weight of 426.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 174494762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).