8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid

C20H14FN3O3 — CID 46232368

IUPAC8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2c(F)cccc2c1=O
InChIInChI=1S/C20H14FN3O3/c21-17-4-1-3-15-18(17)23(12-16(19(15)25)20(26)27)11-13-5-7-14(8-6-13)24-10-2-9-22-24/h1-10,12H,11H2,(H,26,27)
InChIKeySXJIWRKGAFTXQZ-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.07
Rot. Bonds4

About 8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid

8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid (PubChem CID 46232368) has the molecular formula C20H14FN3O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is 8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid
PubChem CID46232368
Molecular FormulaC20H14FN3O3
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2c(F)cccc2c1=O
InChIInChI=1S/C20H14FN3O3/c21-17-4-1-3-15-18(17)23(12-16(19(15)25)20(26)27)11-13-5-7-14(8-6-13)24-10-2-9-22-24/h1-10,12H,11H2,(H,26,27)
InChIKeySXJIWRKGAFTXQZ-UHFFFAOYSA-N
XLogP3.07
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-fluoro-4-oxo-1-[(4-pyrimidin-5-ylphenyl)methyl]quinoline-3-carboxylic acid
CID 46225417
8-fluoro-1-[(4-methylsulfonylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 46225486
8-fluoro-1-[[4-[6-(methylamino)-3-pyridinyl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967791
5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid
CID 44817063
1-[[4-(6-chloro-3-pyridinyl)phenyl]methyl]-8-fluoro-4-oxoquinoline-3-carboxylic acid
CID 24968496
8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967424
8-fluoro-1-[[4-[6-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 46225382
8-fluoro-4-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylic acid
CID 82250393
8-fluoro-1-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967789
5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 46232994
1-[[4-(4-ethenylpyrazol-1-yl)phenyl]methyl]-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 58297059
8-(methylidene-λ3-iodanyl)-4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid
CID 162605099

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid?
The IUPAC name of 8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid (CID 46232368) is 8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid?
The canonical SMILES for 8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid?
The InChIKey is SXJIWRKGAFTXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3/c21-17-4-1-3-15-18(17)23(12-16(19(15)25)20(26)27)11-13-5-7-14(8-6-13)24-10-2-9-22-24/h1-10,12H,11H2,(H,26,27).
What are the key properties of 8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid?
8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid has a molecular weight of 363.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 46232368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).