2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C22H19FN4O2 — CID 46393552

IUPAC2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=C(c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1)N1CCCCC1
InChIInChI=1S/C22H19FN4O2/c23-15-5-7-16(8-6-15)27-22(29)18-13-24-19-9-4-14(12-17(19)20(18)25-27)21(28)26-10-2-1-3-11-26/h4-9,12-13,25H,1-3,10-11H2
InChIKeyPTQQTSOPADXCIY-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.63
Rot. Bonds2

About 2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one

2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 46393552) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID46393552
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=C(c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1)N1CCCCC1
InChIInChI=1S/C22H19FN4O2/c23-15-5-7-16(8-6-15)27-22(29)18-13-24-19-9-4-14(12-17(19)20(18)25-27)21(28)26-10-2-1-3-11-26/h4-9,12-13,25H,1-3,10-11H2
InChIKeyPTQQTSOPADXCIY-UHFFFAOYSA-N
XLogP3.63
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

(3H)Cgs8216
CID 104916
5-Phenyl-3-(Quinolin-6-Ylmethyl)-3,5,6,7-Tetrahydro-4h-[1,2,3]triazolo[4,5-C]pyridin-4-One
CID 44512602
N-[(2S)-1-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide
CID 50902705
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-pyridyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507812
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-pyridyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507824
8-Methyl-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 5273070
8-Chloro-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10379792
6-[1-(7-methyl-1H-indazol-5-yl)-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butan-2-yl]pyridine-3-carbaldehyde
CID 11341642
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
CID 24769156
8-Bromo-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 44384605
4-(aminomethyl)-N-[(1S)-1-[4-(3-oxo-1,2-dihydroindazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 127031390
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 46393552) is 2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one is O=C(c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1)N1CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is PTQQTSOPADXCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-15-5-7-16(8-6-15)27-22(29)18-13-24-19-9-4-14(12-17(19)20(18)25-27)21(28)26-10-2-1-3-11-26/h4-9,12-13,25H,1-3,10-11H2.
What are the key properties of 2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 390.42 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-(piperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 46393552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).