N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

C25H19FN4O2 — CID 53011976

IUPACN-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc3ncc4c(=O)n(-c5ccc(F)cc5)[nH]c4c3c2)c1
InChIInChI=1S/C25H19FN4O2/c1-14-9-15(2)11-18(10-14)28-24(31)16-3-8-22-20(12-16)23-21(13-27-22)25(32)30(29-23)19-6-4-17(26)5-7-19/h3-13,29H,1-2H3,(H,28,31)
InChIKeyGKDHEOWLUKKLGY-UHFFFAOYSA-N
MW426.45 g/mol
LogP4.88
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53011976) has the molecular formula C25H19FN4O2 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53011976
Molecular FormulaC25H19FN4O2
Molecular Weight426.45 g/mol
Exact Mass426.15
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc3ncc4c(=O)n(-c5ccc(F)cc5)[nH]c4c3c2)c1
InChIInChI=1S/C25H19FN4O2/c1-14-9-15(2)11-18(10-14)28-24(31)16-3-8-22-20(12-16)23-21(13-27-22)25(32)30(29-23)19-6-4-17(26)5-7-19/h3-13,29H,1-2H3,(H,28,31)
InChIKeyGKDHEOWLUKKLGY-UHFFFAOYSA-N
XLogP4.88
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 54.88
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

(3H)Cgs8216
CID 104916
4-(4-fluoro-3-((pyridin-2-ylmethyl)carbamoyl)phenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 118888941
8-Methyl-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 5273070
4-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 9932896
8-Chloro-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10379792
8-Bromo-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 44384605
N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-6-carboxamide
CID 22057968
4-(2,4-Difluorophenylamino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571105
4-(2,4-Difluorophenylamino)-7-fluoro-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571147
4-(aminomethyl)-N-[(1S)-1-[4-(3-oxo-1,2-dihydroindazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 127031390
2-(4-fluorophenyl)-8-methyl-5H-pyrazolo[4,3-c]quinolin-3-one
CID 5273072
2-(4-Ethynyl-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10107991

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53011976) is N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc3ncc4c(=O)n(-c5ccc(F)cc5)[nH]c4c3c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is GKDHEOWLUKKLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2/c1-14-9-15(2)11-18(10-14)28-24(31)16-3-8-22-20(12-16)23-21(13-27-22)25(32)30(29-23)19-6-4-17(26)5-7-19/h3-13,29H,1-2H3,(H,28,31).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53011976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).