5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid

C20H14FN3O3 — CID 46232994

IUPAC5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-n3ccnc3)cc2)c2cccc(F)c2c1=O
InChIInChI=1S/C20H14FN3O3/c21-16-2-1-3-17-18(16)19(25)15(20(26)27)11-24(17)10-13-4-6-14(7-5-13)23-9-8-22-12-23/h1-9,11-12H,10H2,(H,26,27)
InChIKeyVYOPTTPVGNYJFL-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.07
Rot. Bonds4

About 5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid

5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 46232994) has the molecular formula C20H14FN3O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is 5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID46232994
Molecular FormulaC20H14FN3O3
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-n3ccnc3)cc2)c2cccc(F)c2c1=O
InChIInChI=1S/C20H14FN3O3/c21-16-2-1-3-17-18(16)19(25)15(20(26)27)11-24(17)10-13-4-6-14(7-5-13)23-9-8-22-12-23/h1-9,11-12H,10H2,(H,26,27)
InChIKeyVYOPTTPVGNYJFL-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid (CID 46232994) is 5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-n3ccnc3)cc2)c2cccc(F)c2c1=O.
What is the InChIKey of 5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is VYOPTTPVGNYJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3/c21-16-2-1-3-17-18(16)19(25)15(20(26)27)11-24(17)10-13-4-6-14(7-5-13)23-9-8-22-12-23/h1-9,11-12H,10H2,(H,26,27).
What are the key properties of 5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid?
5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-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 5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 46232994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).