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

C24H17FN4O2 — CID 22021872

IUPACN-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(-n2[nH]c3c(cnc4c(F)cccc43)c2=O)c1
InChIInChI=1S/C24H17FN4O2/c25-20-11-5-10-18-21-19(14-26-22(18)20)24(31)29(28-21)17-9-4-8-16(12-17)23(30)27-13-15-6-2-1-3-7-15/h1-12,14,28H,13H2,(H,27,30)
InChIKeyPTWYVHDARDXUQL-UHFFFAOYSA-N
MW412.42 g/mol
LogP3.94
Rot. Bonds4

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

N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide (PubChem CID 22021872) has the molecular formula C24H17FN4O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide
PubChem CID22021872
Molecular FormulaC24H17FN4O2
Molecular Weight412.42 g/mol
Exact Mass412.13
IUPAC NameN-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(-n2[nH]c3c(cnc4c(F)cccc43)c2=O)c1
InChIInChI=1S/C24H17FN4O2/c25-20-11-5-10-18-21-19(14-26-22(18)20)24(31)29(28-21)17-9-4-8-16(12-17)23(30)27-13-15-6-2-1-3-7-15/h1-12,14,28H,13H2,(H,27,30)
InChIKeyPTWYVHDARDXUQL-UHFFFAOYSA-N
XLogP3.94
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.94
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

3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide
CID 174494762
N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132430
N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132434
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132457
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-benzyl-3,4-difluorobenzamide
CID 1294460
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132534
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide?
The IUPAC name of N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide (CID 22021872) is N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide.
What is the SMILES notation for N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide?
The canonical SMILES for N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide is O=C(NCc1ccccc1)c1cccc(-n2[nH]c3c(cnc4c(F)cccc43)c2=O)c1.
What is the InChIKey of N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide?
The InChIKey is PTWYVHDARDXUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2/c25-20-11-5-10-18-21-19(14-26-22(18)20)24(31)29(28-21)17-9-4-8-16(12-17)23(30)27-13-15-6-2-1-3-7-15/h1-12,14,28H,13H2,(H,27,30).
What are the key properties of N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide?
N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide has a molecular weight of 412.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide is sourced from PubChem (CID 22021872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).