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

C26H17FN2O3 — CID 46225369

IUPAC5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cccc4cccnc34)cc2)c2cccc(F)c2c1=O
InChIInChI=1S/C26H17FN2O3/c27-21-7-2-8-22-23(21)25(30)20(26(31)32)15-29(22)14-16-9-11-17(12-10-16)19-6-1-4-18-5-3-13-28-24(18)19/h1-13,15H,14H2,(H,31,32)
InChIKeyDROYHZQWPRNVOT-UHFFFAOYSA-N
MW424.43 g/mol
LogP5.10
Rot. Bonds4

About 5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid

5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid (PubChem CID 46225369) has the molecular formula C26H17FN2O3 and a molecular weight of 424.43 g/mol. Its IUPAC name is 5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid
PubChem CID46225369
Molecular FormulaC26H17FN2O3
Molecular Weight424.43 g/mol
Exact Mass424.12
IUPAC Name5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cccc4cccnc34)cc2)c2cccc(F)c2c1=O
InChIInChI=1S/C26H17FN2O3/c27-21-7-2-8-22-23(21)25(30)20(26(31)32)15-29(22)14-16-9-11-17(12-10-16)19-6-1-4-18-5-3-13-28-24(18)19/h1-13,15H,14H2,(H,31,32)
InChIKeyDROYHZQWPRNVOT-UHFFFAOYSA-N
XLogP5.10
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid?
The IUPAC name of 5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid (CID 46225369) is 5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid?
The canonical SMILES for 5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3cccc4cccnc34)cc2)c2cccc(F)c2c1=O.
What is the InChIKey of 5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid?
The InChIKey is DROYHZQWPRNVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN2O3/c27-21-7-2-8-22-23(21)25(30)20(26(31)32)15-29(22)14-16-9-11-17(12-10-16)19-6-1-4-18-5-3-13-28-24(18)19/h1-13,15H,14H2,(H,31,32).
What are the key properties of 5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid?
5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid has a molecular weight of 424.43 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-oxo-1-[(4-quinolin-8-ylphenyl)methyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 46225369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).