5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid

C20H13F2N3O3 — CID 44817063

IUPAC5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2cccc(-n3cccn3)c2)c2c(F)ccc(F)c2c1=O
InChIInChI=1S/C20H13F2N3O3/c21-15-5-6-16(22)18-17(15)19(26)14(20(27)28)11-24(18)10-12-3-1-4-13(9-12)25-8-2-7-23-25/h1-9,11H,10H2,(H,27,28)
InChIKeyMZSIVDOTPVSVRL-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.21
Rot. Bonds4

About 5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid

5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid (PubChem CID 44817063) has the molecular formula C20H13F2N3O3 and a molecular weight of 381.34 g/mol. Its IUPAC name is 5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid
PubChem CID44817063
Molecular FormulaC20H13F2N3O3
Molecular Weight381.34 g/mol
Exact Mass381.09
IUPAC Name5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2cccc(-n3cccn3)c2)c2c(F)ccc(F)c2c1=O
InChIInChI=1S/C20H13F2N3O3/c21-15-5-6-16(22)18-17(15)19(26)14(20(27)28)11-24(18)10-12-3-1-4-13(9-12)25-8-2-7-23-25/h1-9,11H,10H2,(H,27,28)
InChIKeyMZSIVDOTPVSVRL-UHFFFAOYSA-N
XLogP3.21
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid
CID 46232368
1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46225414
5,8-difluoro-1-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967064
5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 46232994
5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid
CID 54587507
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
1-[[4-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]phenyl]methyl]-5,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 143941862
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86966924
6,9-difluoro-2-(2-pyrazol-1-ylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
CID 52914255
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46187846
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide
CID 29183806
1-[[4-(4-ethenylpyrazol-1-yl)phenyl]methyl]-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 58297059

Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid?
The IUPAC name of 5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid (CID 44817063) is 5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid?
The canonical SMILES for 5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid is O=C(O)c1cn(Cc2cccc(-n3cccn3)c2)c2c(F)ccc(F)c2c1=O.
What is the InChIKey of 5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid?
The InChIKey is MZSIVDOTPVSVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O3/c21-15-5-6-16(22)18-17(15)19(26)14(20(27)28)11-24(18)10-12-3-1-4-13(9-12)25-8-2-7-23-25/h1-9,11H,10H2,(H,27,28).
What are the key properties of 5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid?
5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid has a molecular weight of 381.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 44817063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).